2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C15H13N3OS2 — CID 16644283

IUPAC2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nc(-c3ccccc3)cs2)s1
InChIInChI=1S/C15H13N3OS2/c1-9-13(21-10(2)16-9)14(19)18-15-17-12(8-20-15)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyFATHNFQICGWAGG-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.14
Rot. Bonds3

About 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 16644283) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID16644283
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nc(-c3ccccc3)cs2)s1
InChIInChI=1S/C15H13N3OS2/c1-9-13(21-10(2)16-9)14(19)18-15-17-12(8-20-15)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyFATHNFQICGWAGG-UHFFFAOYSA-N
XLogP4.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124109
4-methyl-2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164239
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 27993274
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 167936632
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 75489730
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55415660
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18283277
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927668
N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122589319

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 16644283) is 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2nc(-c3ccccc3)cs2)s1.
What is the InChIKey of 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is FATHNFQICGWAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-9-13(21-10(2)16-9)14(19)18-15-17-12(8-20-15)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16644283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).