2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 8893174

IUPAC2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3OS/c1-9-11(18-13(14-9)16(2)3)12(17)15-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,15,17)
InChIKeyOZANERJODYUEQN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.77
Rot. Bonds3

About 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 8893174) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID8893174
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3OS/c1-9-11(18-13(14-9)16(2)3)12(17)15-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,15,17)
InChIKeyOZANERJODYUEQN-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110443786
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 75396049
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
2-[3-(dimethylamino)propanoylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110442436
4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30141715
2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide
CID 138021751
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 8893174) is 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(N(C)C)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is OZANERJODYUEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-11(18-13(14-9)16(2)3)12(17)15-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,15,17).
What are the key properties of 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 8893174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).