2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide

C14H15N3O2S — CID 112758653

IUPAC2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C14H15N3O2S/c1-8-12(20-9(2)16-8)14(19)17-11-6-4-10(5-7-11)13(18)15-3/h4-7H,1-3H3,(H,15,18)(H,17,19)
InChIKeyUHQCVMGPACMLFZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.37
Rot. Bonds3

About 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 112758653) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID112758653
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C14H15N3O2S/c1-8-12(20-9(2)16-8)14(19)17-11-6-4-10(5-7-11)13(18)15-3/h4-7H,1-3H3,(H,15,18)(H,17,19)
InChIKeyUHQCVMGPACMLFZ-UHFFFAOYSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
3-[[4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222856
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103824607
2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 70340712
N-(4-amino-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114034039
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 2744486
N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 17399100
2-bromo-5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 115295780
6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 61317360
2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338523
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 112758653) is 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1ccc(NC(=O)c2sc(C)nc2C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UHQCVMGPACMLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-12(20-9(2)16-8)14(19)17-11-6-4-10(5-7-11)13(18)15-3/h4-7H,1-3H3,(H,15,18)(H,17,19).
What are the key properties of 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112758653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).