[2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone

C22H19F2N3O3S — CID 55706631

IUPAC[2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C22H19F2N3O3S/c23-22(24)30-17-9-5-4-8-16(17)20(28)26-10-12-27(13-11-26)21(29)18-14-25-19(31-18)15-6-2-1-3-7-15/h1-9,14,22H,10-13H2
InChIKeyWTUNOKDBGDFRET-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.01
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 55706631) has the molecular formula C22H19F2N3O3S and a molecular weight of 443.48 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID55706631
Molecular FormulaC22H19F2N3O3S
Molecular Weight443.48 g/mol
Exact Mass443.11
IUPAC Name[2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C22H19F2N3O3S/c23-22(24)30-17-9-5-4-8-16(17)20(28)26-10-12-27(13-11-26)21(29)18-14-25-19(31-18)15-6-2-1-3-7-15/h1-9,14,22H,10-13H2
InChIKeyWTUNOKDBGDFRET-UHFFFAOYSA-N
XLogP4.01
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56813121
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2-phenylsulfanyl-3-pyridinyl)methanone
CID 55546321
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55547857
[2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 112845110
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
[2-(difluoromethoxy)phenyl]-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]methanone
CID 133468139
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716
[4-(dimethylamino)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 56819559
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 55548613
[2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371027
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone (CID 55706631) is [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone is O=C(c1cnc(-c2ccccc2)s1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is WTUNOKDBGDFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3S/c23-22(24)30-17-9-5-4-8-16(17)20(28)26-10-12-27(13-11-26)21(29)18-14-25-19(31-18)15-6-2-1-3-7-15/h1-9,14,22H,10-13H2.
What are the key properties of [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 443.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55706631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).