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

C15H13N3OS2 — CID 51205846

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(NC(=O)c2csc(-c3ccccc3)n2)sc1C
InChIInChI=1S/C15H13N3OS2/c1-9-10(2)21-15(16-9)18-13(19)12-8-20-14(17-12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18,19)
InChIKeyXKYAZTSYRYJARL-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.14
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 51205846) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID51205846
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(NC(=O)c2csc(-c3ccccc3)n2)sc1C
InChIInChI=1S/C15H13N3OS2/c1-9-10(2)21-15(16-9)18-13(19)12-8-20-14(17-12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18,19)
InChIKeyXKYAZTSYRYJARL-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

2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 31156594
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 71794708
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78814304
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18229691
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18276009
2-(furan-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36808320
N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 17399707
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 18152907

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 51205846) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(NC(=O)c2csc(-c3ccccc3)n2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is XKYAZTSYRYJARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-9-10(2)21-15(16-9)18-13(19)12-8-20-14(17-12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-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 N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51205846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).