1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide

C15H15N5OS — CID 9151839

IUPAC1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C)cc1
InChIInChI=1S/C15H15N5OS/c1-3-11-4-6-12(7-5-11)20-10(2)13(18-19-20)14(21)17-15-16-8-9-22-15/h4-9H,3H2,1-2H3,(H,16,17,21)
InChIKeyPPUQGIWTBFITEV-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.85
Rot. Bonds4

About 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide

1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 9151839) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID9151839
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C)cc1
InChIInChI=1S/C15H15N5OS/c1-3-11-4-6-12(7-5-11)20-10(2)13(18-19-20)14(21)17-15-16-8-9-22-15/h4-9H,3H2,1-2H3,(H,16,17,21)
InChIKeyPPUQGIWTBFITEV-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide (CID 9151839) is 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide is CCc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is PPUQGIWTBFITEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-3-11-4-6-12(7-5-11)20-10(2)13(18-19-20)14(21)17-15-16-8-9-22-15/h4-9H,3H2,1-2H3,(H,16,17,21).
What are the key properties of 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 9151839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).