(4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone

C20H17ClF2N4OS — CID 133457439

IUPAC(4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C20H17ClF2N4OS/c21-14-3-6-16(17(23)12-14)19(28)26-7-9-27(10-8-26)20-25-24-18(29-20)11-13-1-4-15(22)5-2-13/h1-6,12H,7-11H2
InChIKeyYAGUQYPCYDRUIP-UHFFFAOYSA-N
MW434.90 g/mol
LogP4.02
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone

(4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 133457439) has the molecular formula C20H17ClF2N4OS and a molecular weight of 434.90 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
PubChem CID133457439
Molecular FormulaC20H17ClF2N4OS
Molecular Weight434.90 g/mol
Exact Mass434.08
IUPAC Name(4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C20H17ClF2N4OS/c21-14-3-6-16(17(23)12-14)19(28)26-7-9-27(10-8-26)20-25-24-18(29-20)11-13-1-4-15(22)5-2-13/h1-6,12H,7-11H2
InChIKeyYAGUQYPCYDRUIP-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 133466440
[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 133456080
[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 133456473
2-(2-chlorophenyl)-1-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 133456853
1-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 133466492
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133457070
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-N-methylacetamide
CID 133466082
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 133465816
[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 133466002
1-[4-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 133495099
N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide
CID 133456861
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-N-methylbenzenesulfonamide
CID 133457533

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (CID 133457439) is (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1F)N1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is YAGUQYPCYDRUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4OS/c21-14-3-6-16(17(23)12-14)19(28)26-7-9-27(10-8-26)20-25-24-18(29-20)11-13-1-4-15(22)5-2-13/h1-6,12H,7-11H2.
What are the key properties of (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
(4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 434.90 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 133457439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).