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

C9H9ClN2S2 — CID 3941627

IUPAC2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H9ClN2S2/c10-8-2-1-7(14-8)6-5-13-9(12-6)3-4-11/h1-2,5H,3-4,11H2
InChIKeyCAWNKJULAXGECJ-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.03
Rot. Bonds3

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

2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3941627) has the molecular formula C9H9ClN2S2 and a molecular weight of 244.77 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3941627
Molecular FormulaC9H9ClN2S2
Molecular Weight244.77 g/mol
Exact Mass243.99
IUPAC Name2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H9ClN2S2/c10-8-2-1-7(14-8)6-5-13-9(12-6)3-4-11/h1-2,5H,3-4,11H2
InChIKeyCAWNKJULAXGECJ-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 3941627) is 2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is CAWNKJULAXGECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S2/c10-8-2-1-7(14-8)6-5-13-9(12-6)3-4-11/h1-2,5H,3-4,11H2.
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 244.77 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3941627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).