N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide

C16H12N2O4S — CID 4119913

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(=O)c3ccccc3o2)nc1C
InChIInChI=1S/C16H12N2O4S/c1-8-14(9(2)19)23-16(17-8)18-15(21)13-7-11(20)10-5-3-4-6-12(10)22-13/h3-7H,1-2H3,(H,17,18,21)
InChIKeyUANHSJNNHXBMOQ-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.01
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 4119913) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID4119913
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(=O)c3ccccc3o2)nc1C
InChIInChI=1S/C16H12N2O4S/c1-8-14(9(2)19)23-16(17-8)18-15(21)13-7-11(20)10-5-3-4-6-12(10)22-13/h3-7H,1-2H3,(H,17,18,21)
InChIKeyUANHSJNNHXBMOQ-UHFFFAOYSA-N
XLogP3.01
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-4-(2-methylphenoxy)butanamide
CID 1637639
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
Ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3149826
ethyl 2-(4-oxo-4H-chromene-2-carboxamido)thiazole-4-carboxylate
CID 3386436
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
4-oxo-N-(4-phenylthiazol-2-yl)-4H-chromene-2-carboxamide
CID 746084
Methyl 4-methyl-2-[2-(naphthalen-1-yloxy)acetamido]-1,3-thiazole-5-carboxylate
CID 1317019
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 2122608
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-(4-acetylphenyl)furan-2-carboxamide
CID 2474450

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide (CID 4119913) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide is CC(=O)c1sc(NC(=O)c2cc(=O)c3ccccc3o2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is UANHSJNNHXBMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c1-8-14(9(2)19)23-16(17-8)18-15(21)13-7-11(20)10-5-3-4-6-12(10)22-13/h3-7H,1-2H3,(H,17,18,21).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4119913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).