N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C13H13N3O2S — CID 55143046

IUPACN-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C13H13N3O2S/c1-16(2)13(18)9-3-5-10(6-4-9)15-12(17)11-7-19-8-14-11/h3-8H,1-2H3,(H,15,17)
InChIKeyLYXPZKNRBDKCGL-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.10
Rot. Bonds3

About N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 55143046) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID55143046
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C13H13N3O2S/c1-16(2)13(18)9-3-5-10(6-4-9)15-12(17)11-7-19-8-14-11/h3-8H,1-2H3,(H,15,17)
InChIKeyLYXPZKNRBDKCGL-UHFFFAOYSA-N
XLogP2.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 71975443
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 131938859
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62046167
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate
CID 110437401
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617738
dimethyl 5-(1,3-thiazole-4-carbonylamino)benzene-1,3-dicarboxylate
CID 84554958
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 55143046) is N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2cscn2)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LYXPZKNRBDKCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-16(2)13(18)9-3-5-10(6-4-9)15-12(17)11-7-19-8-14-11/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55143046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).