[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine

C8H7ClN2S2 — CID 61280874

IUPAC[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C8H7ClN2S2/c9-7-2-1-6(13-7)8-11-5(3-10)4-12-8/h1-2,4H,3,10H2
InChIKeyBRVHACSDJVBYIT-UHFFFAOYSA-N
MW230.75 g/mol
LogP2.98
Rot. Bonds2

About [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine

[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 61280874) has the molecular formula C8H7ClN2S2 and a molecular weight of 230.75 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID61280874
Molecular FormulaC8H7ClN2S2
Molecular Weight230.75 g/mol
Exact Mass229.97
IUPAC Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C8H7ClN2S2/c9-7-2-1-6(13-7)8-11-5(3-10)4-12-8/h1-2,4H,3,10H2
InChIKeyBRVHACSDJVBYIT-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine (CID 61280874) is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine is NCc1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is BRVHACSDJVBYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S2/c9-7-2-1-6(13-7)8-11-5(3-10)4-12-8/h1-2,4H,3,10H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine?
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 230.75 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 61280874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).