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

C15H20N6OS — CID 154868509

IUPACN-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)Nc3ncc(C4CC4)s3)CC2)n[nH]1
InChIInChI=1S/C15H20N6OS/c1-9-17-13(20-19-9)11-4-6-21(7-5-11)15(22)18-14-16-8-12(23-14)10-2-3-10/h8,10-11H,2-7H2,1H3,(H,16,18,22)(H,17,19,20)
InChIKeyNDPCSIDOSRPAHX-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.86
Rot. Bonds3

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

N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 154868509) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID154868509
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC NameN-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)Nc3ncc(C4CC4)s3)CC2)n[nH]1
InChIInChI=1S/C15H20N6OS/c1-9-17-13(20-19-9)11-4-6-21(7-5-11)15(22)18-14-16-8-12(23-14)10-2-3-10/h8,10-11H,2-7H2,1H3,(H,16,18,22)(H,17,19,20)
InChIKeyNDPCSIDOSRPAHX-UHFFFAOYSA-N
XLogP2.86
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 163340304
N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 154760637
(3S)-N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321208
(1-hydroxycyclopentyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 111565424
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 96510651
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 119070491
(3-chloro-4-pyridinyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118790896
(3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 125168413
(4-methyl-2-phenylpyrimidin-5-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 119070432
(1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 167968785
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340316
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155504376

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 154868509) is N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1nc(C2CCN(C(=O)Nc3ncc(C4CC4)s3)CC2)n[nH]1.
What is the InChIKey of N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is NDPCSIDOSRPAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-9-17-13(20-19-9)11-4-6-21(7-5-11)15(22)18-14-16-8-12(23-14)10-2-3-10/h8,10-11H,2-7H2,1H3,(H,16,18,22)(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154868509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).