5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide

C19H19N5O2S — CID 136522646

IUPAC5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)s1
InChIInChI=1S/C19H19N5O2S/c20-16(25)14-6-7-15(27-14)19(26)24-10-8-13(9-11-24)18-21-17(22-23-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H2,20,25)(H,21,22,23)
InChIKeyNJTWDDLPDCTRTE-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.65
Rot. Bonds4

About 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide

5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide (PubChem CID 136522646) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
PubChem CID136522646
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)s1
InChIInChI=1S/C19H19N5O2S/c20-16(25)14-6-7-15(27-14)19(26)24-10-8-13(9-11-24)18-21-17(22-23-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H2,20,25)(H,21,22,23)
InChIKeyNJTWDDLPDCTRTE-UHFFFAOYSA-N
XLogP2.65
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxyphenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 50958481
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 84598035
3-(1,3-benzothiazol-2-yl)-1-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 51131819
2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanoic acid
CID 119958609
[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 47092690
[4-(aminomethyl)oxan-4-yl]-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120929640
N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95157984
(5-ethyl-4-methylthiophen-2-yl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75447707
[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 166184288
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 136554810

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide?
The IUPAC name of 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide (CID 136522646) is 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide is NC(=O)c1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)s1.
What is the InChIKey of 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide?
The InChIKey is NJTWDDLPDCTRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c20-16(25)14-6-7-15(27-14)19(26)24-10-8-13(9-11-24)18-21-17(22-23-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H2,20,25)(H,21,22,23).
What are the key properties of 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide?
5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide is sourced from PubChem (CID 136522646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).