3-methylthiophen-2-amine

C5H7NS — CID 14536436

IUPAC3-methylthiophen-2-amine
SMILESCc1ccsc1N
InChIInChI=1S/C5H7NS/c1-4-2-3-7-5(4)6/h2-3H,6H2,1H3
InChIKeyPPFLOLZEHGQVQM-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.64
Rot. Bonds

About 3-methylthiophen-2-amine

3-methylthiophen-2-amine (PubChem CID 14536436) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 3-methylthiophen-2-amine.

Molecular Properties

Compound Name3-methylthiophen-2-amine
PubChem CID14536436
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name3-methylthiophen-2-amine
SMILESCc1ccsc1N
InChIInChI=1S/C5H7NS/c1-4-2-3-7-5(4)6/h2-3H,6H2,1H3
InChIKeyPPFLOLZEHGQVQM-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylthiophene;ethane
CID 54075062
2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine
CID 112565165
2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile
CID 146403920
1-(2-aminothiophen-3-yl)ethanone
CID 19908024
3-methyl-4-(3-methylthiophen-2-yl)aniline
CID 78973947
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
CID 116942474
2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene
CID 59774094
2-amino-4-(3-methylthiophen-2-yl)thiophene-3-carboxamide
CID 63993197
[2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine
CID 82775220
2-(bromomethyl)-3-methylthiophene
CID 18463526
5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199204

Frequently Asked Questions

What is the IUPAC name of 3-methylthiophen-2-amine?
The IUPAC name of 3-methylthiophen-2-amine (CID 14536436) is 3-methylthiophen-2-amine.
What is the SMILES notation for 3-methylthiophen-2-amine?
The canonical SMILES for 3-methylthiophen-2-amine is Cc1ccsc1N.
What is the InChIKey of 3-methylthiophen-2-amine?
The InChIKey is PPFLOLZEHGQVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-4-2-3-7-5(4)6/h2-3H,6H2,1H3.
What are the key properties of 3-methylthiophen-2-amine?
3-methylthiophen-2-amine has a molecular weight of 113.18 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthiophen-2-amine is sourced from PubChem (CID 14536436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).