2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide

C15H15N5OS — CID 75395351

IUPAC2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(-n3cnnc3C)c2)s1
InChIInChI=1S/C15H15N5OS/c1-9-14(22-11(3)17-9)15(21)18-12-5-4-6-13(7-12)20-8-16-19-10(20)2/h4-8H,1-3H3,(H,18,21)
InChIKeyZEBSDTDKNUKCEU-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.90
Rot. Bonds3

About 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 75395351) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID75395351
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(-n3cnnc3C)c2)s1
InChIInChI=1S/C15H15N5OS/c1-9-14(22-11(3)17-9)15(21)18-12-5-4-6-13(7-12)20-8-16-19-10(20)2/h4-8H,1-3H3,(H,18,21)
InChIKeyZEBSDTDKNUKCEU-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86990195
N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
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2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986
2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
5-fluoro-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-nitrobenzamide
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2,4-dimethyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121089998
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
N-(4-amino-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114034039
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103824607
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 75395351) is 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(-n3cnnc3C)c2)s1.
What is the InChIKey of 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZEBSDTDKNUKCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9-14(22-11(3)17-9)15(21)18-12-5-4-6-13(7-12)20-8-16-19-10(20)2/h4-8H,1-3H3,(H,18,21).
What are the key properties of 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75395351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).