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

C13H14N2OS — CID 110857349

IUPACN-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(C)c(C)c2)s1
InChIInChI=1S/C13H14N2OS/c1-8-4-5-11(6-9(8)2)15-13(16)12-7-14-10(3)17-12/h4-7H,1-3H3,(H,15,16)
InChIKeyLHZFJMPESWHOTP-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.32
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110857349) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID110857349
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC NameN-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(C)c(C)c2)s1
InChIInChI=1S/C13H14N2OS/c1-8-4-5-11(6-9(8)2)15-13(16)12-7-14-10(3)17-12/h4-7H,1-3H3,(H,15,16)
InChIKeyLHZFJMPESWHOTP-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 ≤ 500246.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 114030963
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110861936
2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 113424571
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75436787
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 51098304
2-ethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 89433950

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 110857349) is N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(C)c(C)c2)s1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LHZFJMPESWHOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-4-5-11(6-9(8)2)15-13(16)12-7-14-10(3)17-12/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 246.33 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 N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110857349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).