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

C15H19ClN4S — CID 62752357

IUPAC1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCN(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C15H19ClN4S/c1-11(17)14-10-18-15(21-14)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10-11H,6-9,17H2,1H3
InChIKeyZBEGDUPFGSIWKM-UHFFFAOYSA-N
MW322.87 g/mol
LogP3.14
Rot. Bonds3

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

1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 62752357) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine
PubChem CID62752357
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCN(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C15H19ClN4S/c1-11(17)14-10-18-15(21-14)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10-11H,6-9,17H2,1H3
InChIKeyZBEGDUPFGSIWKM-UHFFFAOYSA-N
XLogP3.14
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine (CID 62752357) is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(N2CCN(c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZBEGDUPFGSIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c1-11(17)14-10-18-15(21-14)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10-11H,6-9,17H2,1H3.
What are the key properties of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine?
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 322.87 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62752357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).