3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline

C12H12ClNS — CID 142254687

IUPAC3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline
SMILESCNc1cccc(-c2cc(C)sc2Cl)c1
InChIInChI=1S/C12H12ClNS/c1-8-6-11(12(13)15-8)9-4-3-5-10(7-9)14-2/h3-7,14H,1-2H3
InChIKeyNOZWYBWHSFMRCV-UHFFFAOYSA-N
MW237.75 g/mol
LogP4.42
Rot. Bonds2

About 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline

3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline (PubChem CID 142254687) has the molecular formula C12H12ClNS and a molecular weight of 237.75 g/mol. Its IUPAC name is 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline
PubChem CID142254687
Molecular FormulaC12H12ClNS
Molecular Weight237.75 g/mol
Exact Mass237.04
IUPAC Name3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline
SMILESCNc1cccc(-c2cc(C)sc2Cl)c1
InChIInChI=1S/C12H12ClNS/c1-8-6-11(12(13)15-8)9-4-3-5-10(7-9)14-2/h3-7,14H,1-2H3
InChIKeyNOZWYBWHSFMRCV-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline 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

acetaldehyde;N-methyl-3-(3-methylphenyl)aniline
CID 142087034
3-fluoro-N-methylaniline
CID 2759011
N-methylazulen-2-amine
CID 175045574
N-methyl-3-(1-methylpyrazol-4-yl)aniline
CID 106505763
N-methyl-3-(1,3,5-triazin-2-yl)aniline
CID 82468537
3-(3-chlorophenyl)sulfanyl-N-methylaniline
CID 117033156
[3-(methylamino)phenyl]carbamic acid
CID 66771222
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
2-methyl-4-[3-(methylamino)phenyl]isoquinolin-1-one
CID 118021552
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
3-(2-fluoro-6-methoxyphenyl)-N-methylaniline
CID 70269151
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline?
The IUPAC name of 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline (CID 142254687) is 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline.
What is the SMILES notation for 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline?
The canonical SMILES for 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline is CNc1cccc(-c2cc(C)sc2Cl)c1.
What is the InChIKey of 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline?
The InChIKey is NOZWYBWHSFMRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-8-6-11(12(13)15-8)9-4-3-5-10(7-9)14-2/h3-7,14H,1-2H3.
What are the key properties of 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline?
3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline has a molecular weight of 237.75 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methylthiophen-3-yl)-N-methylaniline is sourced from PubChem (CID 142254687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).