(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C20H17F2N3OS — CID 1447469

IUPAC(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H17F2N3OS/c21-16-7-6-15(12-17(16)22)19(26)24-8-10-25(11-9-24)20-23-18(13-27-20)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyRDFFJNFELNGOSC-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.05
Rot. Bonds3

About (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 1447469) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID1447469
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H17F2N3OS/c21-16-7-6-15(12-17(16)22)19(26)24-8-10-25(11-9-24)20-23-18(13-27-20)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyRDFFJNFELNGOSC-UHFFFAOYSA-N
XLogP4.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-nitrophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 1447393
(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 45076516
(3-fluorophenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]methanone
CID 133371062
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
(3,4-dimethoxyphenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 133371022
4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
CID 163418785
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide
CID 57199831
[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 133335465
N-(2-fluorophenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1438372
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 1447469) is (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is RDFFJNFELNGOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c21-16-7-6-15(12-17(16)22)19(26)24-8-10-25(11-9-24)20-23-18(13-27-20)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2.
What are the key properties of (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 385.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 1447469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).