5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole

C16H20ClN3S — CID 3021501

IUPAC5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClN3S/c1-13-16(21-12-18-13)6-7-19-8-10-20(11-9-19)15-4-2-14(17)3-5-15/h2-5,12H,6-11H2,1H3
InChIKeyOWCAFQNRSDRPGQ-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.47
Rot. Bonds4

About 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole

5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 3021501) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID3021501
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClN3S/c1-13-16(21-12-18-13)6-7-19-8-10-20(11-9-19)15-4-2-14(17)3-5-15/h2-5,12H,6-11H2,1H3
InChIKeyOWCAFQNRSDRPGQ-UHFFFAOYSA-N
XLogP3.47
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole (CID 3021501) is 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is OWCAFQNRSDRPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-13-16(21-12-18-13)6-7-19-8-10-20(11-9-19)15-4-2-14(17)3-5-15/h2-5,12H,6-11H2,1H3.
What are the key properties of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 321.88 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 3021501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).