1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine

C14H19ClN4OS — CID 31193054

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine
SMILESCOCc1cn(C2CCN(Cc3ccc(Cl)s3)CC2)nn1
InChIInChI=1S/C14H19ClN4OS/c1-20-10-11-8-19(17-16-11)12-4-6-18(7-5-12)9-13-2-3-14(15)21-13/h2-3,8,12H,4-7,9-10H2,1H3
InChIKeyJGFWLNQULVDXAY-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.98
Rot. Bonds5

About 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine

1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine (PubChem CID 31193054) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine
PubChem CID31193054
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine
SMILESCOCc1cn(C2CCN(Cc3ccc(Cl)s3)CC2)nn1
InChIInChI=1S/C14H19ClN4OS/c1-20-10-11-8-19(17-16-11)12-4-6-18(7-5-12)9-13-2-3-14(15)21-13/h2-3,8,12H,4-7,9-10H2,1H3
InChIKeyJGFWLNQULVDXAY-UHFFFAOYSA-N
XLogP2.98
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)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-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine (CID 31193054) is 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine is COCc1cn(C2CCN(Cc3ccc(Cl)s3)CC2)nn1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine?
The InChIKey is JGFWLNQULVDXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-20-10-11-8-19(17-16-11)12-4-6-18(7-5-12)9-13-2-3-14(15)21-13/h2-3,8,12H,4-7,9-10H2,1H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine?
1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine has a molecular weight of 326.85 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine is sourced from PubChem (CID 31193054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).