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

C13H14N2OS — CID 110857431

IUPACN-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ncsc2C)c1
InChIInChI=1S/C13H14N2OS/c1-8-4-9(2)6-11(5-8)15-13(16)12-10(3)17-7-14-12/h4-7H,1-3H3,(H,15,16)
InChIKeySIEGZESTTDAPOL-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.32
Rot. Bonds2

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

N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110857431) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID110857431
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC NameN-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ncsc2C)c1
InChIInChI=1S/C13H14N2OS/c1-8-4-9(2)6-11(5-8)15-13(16)12-10(3)17-7-14-12/h4-7H,1-3H3,(H,15,16)
InChIKeySIEGZESTTDAPOL-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

N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110859671
N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110858632
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110847845
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702050
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166326972
(2S,3S)-3-methyl-2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 110835380
N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857504
2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 110835384
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 110857431) is N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1cc(C)cc(NC(=O)c2ncsc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SIEGZESTTDAPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-4-9(2)6-11(5-8)15-13(16)12-10(3)17-7-14-12/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-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-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110857431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).