N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide

C14H12N2O4S — CID 4875619

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3=NCCS3)c(=O)oc12
InChIInChI=1S/C14H12N2O4S/c1-19-10-4-2-3-8-7-9(13(18)20-11(8)10)12(17)16-14-15-5-6-21-14/h2-4,7H,5-6H2,1H3,(H,15,16,17)
InChIKeyJGFQRTCQEMYGAN-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.63
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 4875619) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID4875619
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3=NCCS3)c(=O)oc12
InChIInChI=1S/C14H12N2O4S/c1-19-10-4-2-3-8-7-9(13(18)20-11(8)10)12(17)16-14-15-5-6-21-14/h2-4,7H,5-6H2,1H3,(H,15,16,17)
InChIKeyJGFQRTCQEMYGAN-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4127819
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide
CID 78791862
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
CID 27701547
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide (CID 4875619) is N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)NC3=NCCS3)c(=O)oc12.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is JGFQRTCQEMYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-19-10-4-2-3-8-7-9(13(18)20-11(8)10)12(17)16-14-15-5-6-21-14/h2-4,7H,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4875619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).