2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine

C10H12N2S2 — CID 7131905

IUPAC2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine
SMILESCc1nc(-c2ccc(CCN)s2)cs1
InChIInChI=1S/C10H12N2S2/c1-7-12-9(6-13-7)10-3-2-8(14-10)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyJNFOQNCFXSGQAK-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.68
Rot. Bonds3

About 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine

2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine (PubChem CID 7131905) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine
PubChem CID7131905
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine
SMILESCc1nc(-c2ccc(CCN)s2)cs1
InChIInChI=1S/C10H12N2S2/c1-7-12-9(6-13-7)10-3-2-8(14-10)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyJNFOQNCFXSGQAK-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine (CID 7131905) is 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine is Cc1nc(-c2ccc(CCN)s2)cs1.
What is the InChIKey of 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine?
The InChIKey is JNFOQNCFXSGQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-7-12-9(6-13-7)10-3-2-8(14-10)4-5-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine?
2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine has a molecular weight of 224.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 7131905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).