1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine

C13H17ClN4S — CID 167777617

IUPAC1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1cn(CC2CC2)nn1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN4S/c1-17(9-12-4-5-13(14)19-12)7-11-8-18(16-15-11)6-10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyFILOIYVVSFFSMF-UHFFFAOYSA-N
MW296.83 g/mol
LogP3.04
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine

1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 167777617) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine
PubChem CID167777617
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1cn(CC2CC2)nn1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN4S/c1-17(9-12-4-5-13(14)19-12)7-11-8-18(16-15-11)6-10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyFILOIYVVSFFSMF-UHFFFAOYSA-N
XLogP3.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine 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)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine (CID 167777617) is 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine is CN(Cc1cn(CC2CC2)nn1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is FILOIYVVSFFSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-17(9-12-4-5-13(14)19-12)7-11-8-18(16-15-11)6-10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine?
1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 296.83 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 167777617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).