N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide

C21H16N2O3S — CID 1185919

IUPACN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cc4ccccc4oc3=O)sc2C)cc1
InChIInChI=1S/C21H16N2O3S/c1-12-7-9-14(10-8-12)18-13(2)27-21(22-18)23-19(24)16-11-15-5-3-4-6-17(15)26-20(16)25/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLKMYXLOUQWMBCQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.79
Rot. Bonds3

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

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide (PubChem CID 1185919) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
PubChem CID1185919
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cc4ccccc4oc3=O)sc2C)cc1
InChIInChI=1S/C21H16N2O3S/c1-12-7-9-14(10-8-12)18-13(2)27-21(22-18)23-19(24)16-11-15-5-3-4-6-17(15)26-20(16)25/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLKMYXLOUQWMBCQ-UHFFFAOYSA-N
XLogP4.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-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-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19229192
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 110665891
N-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxochromene-3-carboxamide
CID 16815201
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 1144036
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide
CID 108727609
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 3632936
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7615195
2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202864
2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 1229890
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 2150730
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
methyl 4-(4-bromophenyl)-5-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19199830

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide (CID 1185919) is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide is Cc1ccc(-c2nc(NC(=O)c3cc4ccccc4oc3=O)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide?
The InChIKey is LKMYXLOUQWMBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-12-7-9-14(10-8-12)18-13(2)27-21(22-18)23-19(24)16-11-15-5-3-4-6-17(15)26-20(16)25/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide?
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1185919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).