2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine

C14H13ClN4S — CID 105135061

IUPAC2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H13ClN4S/c15-14-7-6-11(20-14)8-12(16)13-9-17-19(18-13)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2
InChIKeyCMWMDJIKNTVXBS-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.22
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine (PubChem CID 105135061) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine
PubChem CID105135061
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H13ClN4S/c15-14-7-6-11(20-14)8-12(16)13-9-17-19(18-13)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2
InChIKeyCMWMDJIKNTVXBS-UHFFFAOYSA-N
XLogP3.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine 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

2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105135243
2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105157346
1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150214
2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105135301
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51177702
(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
CID 105099586
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
CID 130573212
2-(5-chlorothiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716425
4-pentan-2-yl-2-phenyltriazole
CID 163429787
(1R,2S,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
CID 98149039
(1S,2R,3S)-4-amino-1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
CID 25323176

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine (CID 105135061) is 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine is NC(Cc1ccc(Cl)s1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine?
The InChIKey is CMWMDJIKNTVXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c15-14-7-6-11(20-14)8-12(16)13-9-17-19(18-13)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine has a molecular weight of 304.81 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 105135061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).