1-(5-methylthiophen-3-yl)ethane-1,2-diamine

C7H12N2S — CID 55294445

IUPAC1-(5-methylthiophen-3-yl)ethane-1,2-diamine
SMILESCc1cc(C(N)CN)cs1
InChIInChI=1S/C7H12N2S/c1-5-2-6(4-10-5)7(9)3-8/h2,4,7H,3,8-9H2,1H3
InChIKeyJVBVPZBJGPLUTH-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.02
Rot. Bonds2

About 1-(5-methylthiophen-3-yl)ethane-1,2-diamine

1-(5-methylthiophen-3-yl)ethane-1,2-diamine (PubChem CID 55294445) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)ethane-1,2-diamine
PubChem CID55294445
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-(5-methylthiophen-3-yl)ethane-1,2-diamine
SMILESCc1cc(C(N)CN)cs1
InChIInChI=1S/C7H12N2S/c1-5-2-6(4-10-5)7(9)3-8/h2,4,7H,3,8-9H2,1H3
InChIKeyJVBVPZBJGPLUTH-UHFFFAOYSA-N
XLogP1.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylthiophen-3-yl)butan-1-amine
CID 82412623
2-cyclopropyl-1-(5-methylthiophen-3-yl)ethanamine
CID 55294440
2-(2,6-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104969
2-(4-chlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104441
3-cyclopentyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 104991519
(1R)-2,2,2-trifluoro-1-(5-methylthiophen-3-yl)ethanamine
CID 55274092
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
CID 55293890
1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine
CID 105155456
2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104603
2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099385
2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine
CID 130665450
1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 65104547

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(5-methylthiophen-3-yl)ethane-1,2-diamine (CID 55294445) is 1-(5-methylthiophen-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-methylthiophen-3-yl)ethane-1,2-diamine is Cc1cc(C(N)CN)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)ethane-1,2-diamine?
The InChIKey is JVBVPZBJGPLUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5-2-6(4-10-5)7(9)3-8/h2,4,7H,3,8-9H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)ethane-1,2-diamine?
1-(5-methylthiophen-3-yl)ethane-1,2-diamine has a molecular weight of 156.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 55294445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).