[4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

C14H12ClF2N3OS — CID 136531644

IUPAC[4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2ncc(Cl)s2)CC1
InChIInChI=1S/C14H12ClF2N3OS/c15-11-8-18-14(22-11)20-6-4-19(5-7-20)13(21)12-9(16)2-1-3-10(12)17/h1-3,8H,4-7H2
InChIKeyZQJOJGWAZWXFOC-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.04
Rot. Bonds2

About [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

[4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 136531644) has the molecular formula C14H12ClF2N3OS and a molecular weight of 343.79 g/mol. Its IUPAC name is [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID136531644
Molecular FormulaC14H12ClF2N3OS
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC Name[4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2ncc(Cl)s2)CC1
InChIInChI=1S/C14H12ClF2N3OS/c15-11-8-18-14(22-11)20-6-4-19(5-7-20)13(21)12-9(16)2-1-3-10(12)17/h1-3,8H,4-7H2
InChIKeyZQJOJGWAZWXFOC-UHFFFAOYSA-N
XLogP3.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 43982501
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
(2-chloro-6-fluorophenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982462
(2-chloro-6-fluorophenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982384
(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741394
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030
[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 68540113
2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397204
(2,6-difluorophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18589713
2-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182884
(2-chlorophenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539567
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (CID 136531644) is [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)N1CCN(c2ncc(Cl)s2)CC1.
What is the InChIKey of [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is ZQJOJGWAZWXFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3OS/c15-11-8-18-14(22-11)20-6-4-19(5-7-20)13(21)12-9(16)2-1-3-10(12)17/h1-3,8H,4-7H2.
What are the key properties of [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
[4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 343.79 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 136531644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).