methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

CAS: 448906-42-1

Formula: C14H10N2O3S

SMILES: COC(=O)C1=CSC(=N1)C(=O)C1=CNC2=CC=CC=C12

IUPAC: methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3

Composition: C (58.73%), H (3.52%), N (9.78%), O (16.76%), S (11.20%)

Molar Mass: 286.31

Atom Count: 30

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	286.041213364
Formal Charge	0
FSP3	0.07
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KDDXOGDIPZSCTM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.06
Topological Polar Surface Area	72.05
Polarizability	29.43
Ring Count	3
Rotatable Bond Count	4

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