1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

C16H18ClN3OS — CID 120738339

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
SMILESO=C(CCc1cscn1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H18ClN3OS/c17-14-4-2-1-3-13(14)15-9-18-7-8-20(15)16(21)6-5-12-10-22-11-19-12/h1-4,10-11,15,18H,5-9H2
InChIKeySZAZADBUJWRKSC-UHFFFAOYSA-N
MW335.86 g/mol
LogP2.90
Rot. Bonds4

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 120738339) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
PubChem CID120738339
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
SMILESO=C(CCc1cscn1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H18ClN3OS/c17-14-4-2-1-3-13(14)15-9-18-7-8-20(15)16(21)6-5-12-10-22-11-19-12/h1-4,10-11,15,18H,5-9H2
InChIKeySZAZADBUJWRKSC-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 120738786
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride
CID 120739849
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride
CID 120739331
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
CID 120739649
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 120739364

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (CID 120738339) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is O=C(CCc1cscn1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is SZAZADBUJWRKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-14-4-2-1-3-13(14)15-9-18-7-8-20(15)16(21)6-5-12-10-22-11-19-12/h1-4,10-11,15,18H,5-9H2.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 335.86 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 120738339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).