4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide

C20H19N3O2S — CID 171095871

IUPAC4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2snc(-c3ccccc3)c2C2CC2)cn(C)c1=O
InChIInChI=1S/C20H19N3O2S/c1-12-10-15(11-23(2)20(12)25)21-19(24)18-16(13-8-9-13)17(22-26-18)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,21,24)
InChIKeyPJNNWCZPLVFQJK-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.95
Rot. Bonds4

About 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide

4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide (PubChem CID 171095871) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide
PubChem CID171095871
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2snc(-c3ccccc3)c2C2CC2)cn(C)c1=O
InChIInChI=1S/C20H19N3O2S/c1-12-10-15(11-23(2)20(12)25)21-19(24)18-16(13-8-9-13)17(22-26-18)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,21,24)
InChIKeyPJNNWCZPLVFQJK-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate
CID 171096227
4-cyclopropyl-N-(2-methyl-4-pyridinyl)-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide
CID 171096127
4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
CID 171095854
methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate
CID 166386868
ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate
CID 42883070
2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 42914913
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 134016368
3,5-dimethyl-4-oxo-N-(2-phenylpyrimidin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134009535
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 38325807
4-amino-N-cyclopentyl-3-phenyl-1,2-thiazole-5-carboxamide
CID 53335704
N-[3-chloro-4-(3-hydroxyazetidine-1-carbonyl)phenyl]-4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carboxamide;ethane;sulfane
CID 171096222
[5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid
CID 137422991

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide (CID 171095871) is 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide is Cc1cc(NC(=O)c2snc(-c3ccccc3)c2C2CC2)cn(C)c1=O.
What is the InChIKey of 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide?
The InChIKey is PJNNWCZPLVFQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-10-15(11-23(2)20(12)25)21-19(24)18-16(13-8-9-13)17(22-26-18)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide?
4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 171095871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).