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

C19H22N6OS — CID 119072353

IUPAC3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc(C2CCCN(C(=O)NCc3nc(-c4ccccc4)cs3)C2)n[nH]1
InChIInChI=1S/C19H22N6OS/c1-13-21-18(24-23-13)15-8-5-9-25(11-15)19(26)20-10-17-22-16(12-27-17)14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,20,26)(H,21,23,24)
InChIKeySIHDSWBHLLYKLE-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.33
Rot. Bonds4

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

3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 119072353) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID119072353
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc(C2CCCN(C(=O)NCc3nc(-c4ccccc4)cs3)C2)n[nH]1
InChIInChI=1S/C19H22N6OS/c1-13-21-18(24-23-13)15-8-5-9-25(11-15)19(26)20-10-17-22-16(12-27-17)14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,20,26)(H,21,23,24)
InChIKeySIHDSWBHLLYKLE-UHFFFAOYSA-N
XLogP3.33
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 125138168
3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 110901412
(3S)-1-(2-methylsulfanylacetyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 177213828
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551187
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453114
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91828374
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 126436597
[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 99927369
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
(5-bromothiophen-3-yl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 127476732

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide (CID 119072353) is 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide is Cc1nc(C2CCCN(C(=O)NCc3nc(-c4ccccc4)cs3)C2)n[nH]1.
What is the InChIKey of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is SIHDSWBHLLYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-13-21-18(24-23-13)15-8-5-9-25(11-15)19(26)20-10-17-22-16(12-27-17)14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,20,26)(H,21,23,24).
What are the key properties of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 119072353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).