1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

C11H13ClN2S2 — CID 103407151

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1scc(C)c1Cl
InChIInChI=1S/C11H13ClN2S2/c1-7-5-15-11(10(7)12)9(13-2)3-8-4-14-6-16-8/h4-6,9,13H,3H2,1-2H3
InChIKeyLKJKRFVFVUVOSS-UHFFFAOYSA-N
MW272.83 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 103407151) has the molecular formula C11H13ClN2S2 and a molecular weight of 272.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID103407151
Molecular FormulaC11H13ClN2S2
Molecular Weight272.83 g/mol
Exact Mass272.02
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1scc(C)c1Cl
InChIInChI=1S/C11H13ClN2S2/c1-7-5-15-11(10(7)12)9(13-2)3-8-4-14-6-16-8/h4-6,9,13H,3H2,1-2H3
InChIKeyLKJKRFVFVUVOSS-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-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

N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 103407156
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177948
1-(2-chlorofuran-3-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106692940
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103406934
1-(3-chloro-5-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030810
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 103406541
1-(2-chloro-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030273
N-methyl-2-(1,3-thiazol-5-yl)-1-thiophen-3-ylethanamine
CID 112642765
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114886134
1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030468
1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 103402443

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 103407151) is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is LKJKRFVFVUVOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S2/c1-7-5-15-11(10(7)12)9(13-2)3-8-4-14-6-16-8/h4-6,9,13H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 272.83 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 103407151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).