1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C10H13ClN4S — CID 104997533

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCNC(Cc1ncnn1C)c1sccc1Cl
InChIInChI=1S/C10H13ClN4S/c1-12-8(10-7(11)3-4-16-10)5-9-13-6-14-15(9)2/h3-4,6,8,12H,5H2,1-2H3
InChIKeyUEWCTYSYVQHAHL-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.03
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104997533) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104997533
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCNC(Cc1ncnn1C)c1sccc1Cl
InChIInChI=1S/C10H13ClN4S/c1-12-8(10-7(11)3-4-16-10)5-9-13-6-14-15(9)2/h3-4,6,8,12H,5H2,1-2H3
InChIKeyUEWCTYSYVQHAHL-UHFFFAOYSA-N
XLogP2.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-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

1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999475
1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997878
1-(5-bromothiophen-3-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159570
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 114022140
N-methyl-1-(2-methylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159617
N-ethyl-1-(3-methoxythiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997997
1-(2,6-dimethylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 114027109
1-(2-chloro-3-fluorophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997495
1-(4-tert-butylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997858
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159439
1-(2-iodophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997588
1-(5-chloro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997646

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104997533) is 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CNC(Cc1ncnn1C)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is UEWCTYSYVQHAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-12-8(10-7(11)3-4-16-10)5-9-13-6-14-15(9)2/h3-4,6,8,12H,5H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 256.76 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104997533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).