3-chloro-4-methoxy-5-methylthiophen-2-amine

C6H8ClNOS — CID 142407212

IUPAC3-chloro-4-methoxy-5-methylthiophen-2-amine
SMILESCOc1c(C)sc(N)c1Cl
InChIInChI=1S/C6H8ClNOS/c1-3-5(9-2)4(7)6(8)10-3/h8H2,1-2H3
InChIKeyBZEASXLEKRQYFM-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.30
Rot. Bonds1

About 3-chloro-4-methoxy-5-methylthiophen-2-amine

3-chloro-4-methoxy-5-methylthiophen-2-amine (PubChem CID 142407212) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 3-chloro-4-methoxy-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-chloro-4-methoxy-5-methylthiophen-2-amine
PubChem CID142407212
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name3-chloro-4-methoxy-5-methylthiophen-2-amine
SMILESCOc1c(C)sc(N)c1Cl
InChIInChI=1S/C6H8ClNOS/c1-3-5(9-2)4(7)6(8)10-3/h8H2,1-2H3
InChIKeyBZEASXLEKRQYFM-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-methoxy-5-methylthiophen-2-amine 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-chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
1,2,3,4,5-pentachloro-6-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 129318206
3,4,5-trimethoxythiophen-2-amine
CID 98774107
2-amino-3-chloro-5-methoxy-4,6-dimethylphenol
CID 84670347
3-chloro-4-methoxy-1-benzothiophen-2-amine
CID 130884124
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
CID 173127385
(2-chloro-3-methoxy-4-methylphenyl)methanamine
CID 83828901
methane;1,2,4,5-tetrachloro-3,6-dimethoxybenzene;1,2,4,5-tetrachloro-3,6-dimethylbenzene;1,2,4,5-tetrachloro-3-methoxy-6-(2,3,5,6-tetrachloro-4-methoxyphenoxy)benzene;1,2,4,5-tetrachloro-3-methoxy-6-(2,3,5,6-tetrachloro-4-methoxyphenyl)benzene;1,2,4,5-tetrachloro-3-methyl-6-(2,3,5,6-tetrachloro-4-methylphenyl)benzene
CID 161453587
3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
CID 82366084
5-amino-3,4-dimethoxythiophene-2-carboxylic acid
CID 112545413
1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene
CID 91748514
1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene
CID 86035414

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-5-methylthiophen-2-amine?
The IUPAC name of 3-chloro-4-methoxy-5-methylthiophen-2-amine (CID 142407212) is 3-chloro-4-methoxy-5-methylthiophen-2-amine.
What is the SMILES notation for 3-chloro-4-methoxy-5-methylthiophen-2-amine?
The canonical SMILES for 3-chloro-4-methoxy-5-methylthiophen-2-amine is COc1c(C)sc(N)c1Cl.
What is the InChIKey of 3-chloro-4-methoxy-5-methylthiophen-2-amine?
The InChIKey is BZEASXLEKRQYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-3-5(9-2)4(7)6(8)10-3/h8H2,1-2H3.
What are the key properties of 3-chloro-4-methoxy-5-methylthiophen-2-amine?
3-chloro-4-methoxy-5-methylthiophen-2-amine has a molecular weight of 177.66 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-5-methylthiophen-2-amine is sourced from PubChem (CID 142407212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).