N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C18H20N6OS — CID 154736967

IUPACN-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(-c2ncccc2NC(=O)N2CCCCC2c2ncn[nH]2)cs1
InChIInChI=1S/C18H20N6OS/c1-12-9-13(10-26-12)16-14(5-4-7-19-16)22-18(25)24-8-3-2-6-15(24)17-20-11-21-23-17/h4-5,7,9-11,15H,2-3,6,8H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyWJSHSFXBWYDKQN-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.00
Rot. Bonds3

About N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 154736967) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID154736967
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(-c2ncccc2NC(=O)N2CCCCC2c2ncn[nH]2)cs1
InChIInChI=1S/C18H20N6OS/c1-12-9-13(10-26-12)16-14(5-4-7-19-16)22-18(25)24-8-3-2-6-15(24)17-20-11-21-23-17/h4-5,7,9-11,15H,2-3,6,8H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyWJSHSFXBWYDKQN-UHFFFAOYSA-N
XLogP4.00
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75397898
N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75518851
(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97346259
(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97347741
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
[4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129381722
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
(3-tert-butylcyclobutyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128664958
[3-(hydroxymethyl)phenyl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129351286
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
(2S)-2-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 95821022
2-(1H-imidazol-2-yl)-N-(2-methylquinolin-8-yl)piperidine-1-carboxamide
CID 71972132

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 154736967) is N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is Cc1cc(-c2ncccc2NC(=O)N2CCCCC2c2ncn[nH]2)cs1.
What is the InChIKey of N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is WJSHSFXBWYDKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12-9-13(10-26-12)16-14(5-4-7-19-16)22-18(25)24-8-3-2-6-15(24)17-20-11-21-23-17/h4-5,7,9-11,15H,2-3,6,8H2,1H3,(H,22,25)(H,20,21,23).
What are the key properties of N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154736967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).