1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine

C13H18N4S — CID 121183681

IUPAC1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine
SMILESCc1ccsc1CN1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H18N4S/c1-11-4-9-18-13(11)10-16-6-2-12(3-7-16)17-8-5-14-15-17/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyNJCWMMACJMZZHJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.49
Rot. Bonds3

About 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine

1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine (PubChem CID 121183681) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine
PubChem CID121183681
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine
SMILESCc1ccsc1CN1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H18N4S/c1-11-4-9-18-13(11)10-16-6-2-12(3-7-16)17-8-5-14-15-17/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyNJCWMMACJMZZHJ-UHFFFAOYSA-N
XLogP2.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine (CID 121183681) is 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine is Cc1ccsc1CN1CCC(n2ccnn2)CC1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine?
The InChIKey is NJCWMMACJMZZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-11-4-9-18-13(11)10-16-6-2-12(3-7-16)17-8-5-14-15-17/h4-5,8-9,12H,2-3,6-7,10H2,1H3.
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine?
1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine has a molecular weight of 262.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine is sourced from PubChem (CID 121183681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).