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

C19H13N3O3S — CID 110665891

IUPACN-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCc1nc(NC(=O)c2cc3ccccc3oc2=O)sc1-c1cccnc1
InChIInChI=1S/C19H13N3O3S/c1-11-16(13-6-4-8-20-10-13)26-19(21-11)22-17(23)14-9-12-5-2-3-7-15(12)25-18(14)24/h2-10H,1H3,(H,21,22,23)
InChIKeyZFLPQYKYOBQBIX-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.87
Rot. Bonds3

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

N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide (PubChem CID 110665891) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
PubChem CID110665891
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC NameN-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCc1nc(NC(=O)c2cc3ccccc3oc2=O)sc1-c1cccnc1
InChIInChI=1S/C19H13N3O3S/c1-11-16(13-6-4-8-20-10-13)26-19(21-11)22-17(23)14-9-12-5-2-3-7-15(12)25-18(14)24/h2-10H,1H3,(H,21,22,23)
InChIKeyZFLPQYKYOBQBIX-UHFFFAOYSA-N
XLogP3.87
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 1185919
2-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 1144036
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
N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide
CID 22993732
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 82330981
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
CID 171388211
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 2150730
N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
CID 91813609
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
CID 30183382

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide (CID 110665891) is N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide is Cc1nc(NC(=O)c2cc3ccccc3oc2=O)sc1-c1cccnc1.
What is the InChIKey of N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The InChIKey is ZFLPQYKYOBQBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c1-11-16(13-6-4-8-20-10-13)26-19(21-11)22-17(23)14-9-12-5-2-3-7-15(12)25-18(14)24/h2-10H,1H3,(H,21,22,23).
What are the key properties of N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110665891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).