[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C14H14ClN3OS — CID 63038242

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H14ClN3OS/c15-11-2-1-3-12(8-11)17-4-6-18(7-5-17)14(19)13-9-20-10-16-13/h1-3,8-10H,4-7H2
InChIKeyWYDKGTSJZXUKFI-UHFFFAOYSA-N
MW307.81 g/mol
LogP2.76
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 63038242) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID63038242
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H14ClN3OS/c15-11-2-1-3-12(8-11)17-4-6-18(7-5-17)14(19)13-9-20-10-16-13/h1-3,8-10H,4-7H2
InChIKeyWYDKGTSJZXUKFI-UHFFFAOYSA-N
XLogP2.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53161120
(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109216106
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95828779
[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone
CID 109184792
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202333
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 63038242) is [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is WYDKGTSJZXUKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-11-2-1-3-12(8-11)17-4-6-18(7-5-17)14(19)13-9-20-10-16-13/h1-3,8-10H,4-7H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 307.81 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 63038242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).