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

C11H11ClN2S — CID 1497769

IUPAC2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5-6,13H2
InChIKeyBWKAGQFZLFDPOW-UHFFFAOYSA-N
MW238.74 g/mol
LogP2.96
Rot. Bonds3

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

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 1497769) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID1497769
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5-6,13H2
InChIKeyBWKAGQFZLFDPOW-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine (CID 1497769) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is BWKAGQFZLFDPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5-6,13H2.
What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 238.74 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 1497769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).