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

C13H14N2OS — CID 110465519

IUPAC2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2C)c(C)s1
InChIInChI=1S/C13H14N2OS/c1-8-6-4-5-7-11(8)15-13(16)12-9(2)17-10(3)14-12/h4-7H,1-3H3,(H,15,16)
InChIKeyVRYMVCSWHVRRIX-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.32
Rot. Bonds2

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

2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 110465519) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID110465519
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2C)c(C)s1
InChIInChI=1S/C13H14N2OS/c1-8-6-4-5-7-11(8)15-13(16)12-9(2)17-10(3)14-12/h4-7H,1-3H3,(H,15,16)
InChIKeyVRYMVCSWHVRRIX-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110858372
N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465560
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
N-(2,6-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465586
N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465588
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
3-(diethylamino)-N-(2-methylphenyl)quinoxaline-2-carboxamide
CID 46365128
3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110860901
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 110465519) is 2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccccc2C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VRYMVCSWHVRRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-6-4-5-7-11(8)15-13(16)12-9(2)17-10(3)14-12/h4-7H,1-3H3,(H,15,16).
What are the key properties of 2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).