3-{[4-(1,3-thiazole-2-amido)phenyl]carbamoyl}propanoic acid

3-{[4-(1,3-thiazole-2-amido)phenyl]carbamoyl}propanoic acid

Formula: C14H13N3O4S

SMILES: OC(=O)CCC(=O)NC1=CC=C(NC(=O)C2=NC=CS2)C=C1

IUPAC: 3-{[4-(1,3-thiazole-2-amido)phenyl]carbamoyl}propanoic acid

InChI: InChI=1S/C14H13N3O4S/c18-11(5-6-12(19)20)16-9-1-3-10(4-2-9)17-13(21)14-15-7-8-22-14/h1-4,7-8H,5-6H2,(H,16,18)(H,17,21)(H,19,20)

Composition: C (52.66%), H (4.10%), N (13.16%), O (20.04%), S (10.04%)

Molar Mass: 319.34

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	319.062677085
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	XWVNMNOTHJGYFV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.03
Topological Polar Surface Area	108.39
Polarizability	29.95
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00