4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide

C15H13N3O2S — CID 17398337

IUPAC4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)no1
InChIInChI=1S/C15H13N3O2S/c1-9-8-12(18-20-9)17-14(19)13-10(2)16-15(21-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyITARFNCDKKXUIP-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

About 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 17398337) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID17398337
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)no1
InChIInChI=1S/C15H13N3O2S/c1-9-8-12(18-20-9)17-14(19)13-10(2)16-15(21-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyITARFNCDKKXUIP-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 31861302
N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 86797967
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 59420682
4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 78837201
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(2-bromo-4-methylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27667984
2-(4-methoxyphenyl)-4-methyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 35035442
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675116
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 39820934

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 17398337) is 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)no1.
What is the InChIKey of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ITARFNCDKKXUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-8-12(18-20-9)17-14(19)13-10(2)16-15(21-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17398337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).