1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one

C21H22N4OS — CID 110648647

IUPAC1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2cccnc2)cs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(25-13-11-24(12-14-25)18-6-2-1-3-7-18)9-8-20-23-19(16-27-20)17-5-4-10-22-15-17/h1-7,10,15-16H,8-9,11-14H2
InChIKeyYQEFXRUAUWYUMF-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one

1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 110648647) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one
PubChem CID110648647
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2cccnc2)cs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(25-13-11-24(12-14-25)18-6-2-1-3-7-18)9-8-20-23-19(16-27-20)17-5-4-10-22-15-17/h1-7,10,15-16H,8-9,11-14H2
InChIKeyYQEFXRUAUWYUMF-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 110412266
ethyl 4-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110648887
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110648650
1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56687363
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
1-(4-phenylpiperazin-1-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330015
3-(4-phenyl-1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628802
1-(4-methylpiperazin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647750
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649753

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one (CID 110648647) is 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nc(-c2cccnc2)cs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is YQEFXRUAUWYUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(25-13-11-24(12-14-25)18-6-2-1-3-7-18)9-8-20-23-19(16-27-20)17-5-4-10-22-15-17/h1-7,10,15-16H,8-9,11-14H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one?
1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 378.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 110648647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).