4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide

C17H21N3O2S — CID 99838573

IUPAC4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2scnc2C)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C17H21N3O2S/c1-10(2)20(5)17(22)14-8-13(7-6-11(14)3)19-16(21)15-12(4)18-9-23-15/h6-10H,1-5H3,(H,19,21)
InChIKeyDOAWHVWXXCIUEZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.49
Rot. Bonds4

About 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 99838573) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID99838573
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2scnc2C)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C17H21N3O2S/c1-10(2)20(5)17(22)14-8-13(7-6-11(14)3)19-16(21)15-12(4)18-9-23-15/h6-10H,1-5H3,(H,19,21)
InChIKeyDOAWHVWXXCIUEZ-UHFFFAOYSA-N
XLogP3.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 99838544
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
CID 99839674
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55057585
N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64782010
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 146102908
N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 71975443
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide (CID 99838573) is 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2scnc2C)cc1C(=O)N(C)C(C)C.
What is the InChIKey of 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DOAWHVWXXCIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-10(2)20(5)17(22)14-8-13(7-6-11(14)3)19-16(21)15-12(4)18-9-23-15/h6-10H,1-5H3,(H,19,21).
What are the key properties of 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99838573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).