1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide

C15H15N5OS — CID 17015603

IUPAC1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2nccs2)nnn1-c1ccccc1
InChIInChI=1S/C15H15N5OS/c1-2-6-12-13(14(21)17-15-16-9-10-22-15)18-19-20(12)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,16,17,21)
InChIKeyKLCMEORRRGJONU-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.93
Rot. Bonds5

About 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide

1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 17015603) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID17015603
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2nccs2)nnn1-c1ccccc1
InChIInChI=1S/C15H15N5OS/c1-2-6-12-13(14(21)17-15-16-9-10-22-15)18-19-20(12)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,16,17,21)
InChIKeyKLCMEORRRGJONU-UHFFFAOYSA-N
XLogP2.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504
2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one
CID 118564531
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 9151795
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 39992666
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 2952050
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 11544198
3-butyl-4-oxo-N-(1,3-thiazol-2-yl)phthalazine-1-carboxamide
CID 2679207
5-ethoxy-N,1-diphenyltriazole-4-carboxamide
CID 1499985
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide (CID 17015603) is 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide is CCCc1c(C(=O)Nc2nccs2)nnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is KLCMEORRRGJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-6-12-13(14(21)17-15-16-9-10-22-15)18-19-20(12)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,16,17,21).
What are the key properties of 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide?
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 17015603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).