2-(2-propylpyridin-4-yl)-1,3-thiazole-4-carboxylic acid

2-(2-propylpyridin-4-yl)-1,3-thiazole-4-carboxylic acid

Formula: C12H12N2O2S

SMILES: CCCC1=NC=CC(=C1)C1=NC(=CS1)C(O)=O

IUPAC: 2-(2-propylpyridin-4-yl)-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C12H12N2O2S/c1-2-3-9-6-8(4-5-13-9)11-14-10(7-17-11)12(15)16/h4-7H,2-3H2,1H3,(H,15,16)

Composition: C (58.05%), H (4.87%), N (11.28%), O (12.89%), S (12.91%)

Molar Mass: 248.3

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	248.061948808
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DATHWVWCDMQCMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.91
Topological Polar Surface Area	63.08
Polarizability	25.3
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H12N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00