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

C15H15N5OS — CID 136578426

IUPAC2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
InChIInChI=1S/C15H15N5OS/c1-8-13(22-10(3)16-8)15(21)18-12-6-4-5-11(7-12)14-17-9(2)19-20-14/h4-7H,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyCEMHBJJLLZUKRI-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.11
Rot. Bonds3

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

2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 136578426) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID136578426
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1
InChIInChI=1S/C15H15N5OS/c1-8-13(22-10(3)16-8)15(21)18-12-6-4-5-11(7-12)14-17-9(2)19-20-14/h4-7H,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyCEMHBJJLLZUKRI-UHFFFAOYSA-N
XLogP3.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
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CID 64525875
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
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2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
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CID 17399100
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
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2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
4-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933061
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 52668662

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 136578426) is 2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1.
What is the InChIKey of 2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CEMHBJJLLZUKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-8-13(22-10(3)16-8)15(21)18-12-6-4-5-11(7-12)14-17-9(2)19-20-14/h4-7H,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of 2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136578426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).