4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 110386385

IUPAC4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C)c(C(=O)Nc2cccc(C)c2)s1
InChIInChI=1S/C13H15N3OS/c1-8-5-4-6-10(7-8)16-12(17)11-9(2)15-13(14-3)18-11/h4-7H,1-3H3,(H,14,15)(H,16,17)
InChIKeyWUVXCFAHUQYWGI-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.05
Rot. Bonds3

About 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 110386385) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID110386385
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C)c(C(=O)Nc2cccc(C)c2)s1
InChIInChI=1S/C13H15N3OS/c1-8-5-4-6-10(7-8)16-12(17)11-9(2)15-13(14-3)18-11/h4-7H,1-3H3,(H,14,15)(H,16,17)
InChIKeyWUVXCFAHUQYWGI-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897194
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
4-methyl-2-(3-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 23791669
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183
2-cyclopropyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110694378
4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886558
2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897898

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 110386385) is 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is CNc1nc(C)c(C(=O)Nc2cccc(C)c2)s1.
What is the InChIKey of 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WUVXCFAHUQYWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-5-4-6-10(7-8)16-12(17)11-9(2)15-13(14-3)18-11/h4-7H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110386385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).