2-{[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

2-{[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

Formula: C14H13N5OS2

SMILES: CC1=CC(=CC=C1)C1=NC(SCC(=O)NC2=NC=CS2)=NN1

IUPAC: 2-{[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

InChI: InChI=1S/C14H13N5OS2/c1-9-3-2-4-10(7-9)12-17-14(19-18-12)22-8-11(20)16-13-15-5-6-21-13/h2-7H,8H2,1H3,(H,15,16,20)(H,17,18,19)

Composition: C (50.74%), H (3.95%), N (21.13%), O (4.83%), S (19.35%)

Molar Mass: 331.41

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	331.056152407
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FWZSODKQAIZUSY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.96
Topological Polar Surface Area	83.56
Polarizability	33.65
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13N5OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00