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

C9H9ClN2S2 — CID 3644419

IUPAC1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H9ClN2S2/c1-5(11)9-12-6(4-13-9)7-2-3-8(10)14-7/h2-5H,11H2,1H3
InChIKeyYYAMSMQYXQWKHG-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.54
Rot. Bonds2

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

1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3644419) has the molecular formula C9H9ClN2S2 and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3644419
Molecular FormulaC9H9ClN2S2
Molecular Weight244.77 g/mol
Exact Mass243.99
IUPAC Name1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H9ClN2S2/c1-5(11)9-12-6(4-13-9)7-2-3-8(10)14-7/h2-5H,11H2,1H3
InChIKeyYYAMSMQYXQWKHG-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 3644419) is 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is YYAMSMQYXQWKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S2/c1-5(11)9-12-6(4-13-9)7-2-3-8(10)14-7/h2-5H,11H2,1H3.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 244.77 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3644419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).