[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone

C19H17ClFNOS — CID 122329384

IUPAC[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCSC1c1ccccc1Cl)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClFNOS/c20-16-4-2-1-3-15(16)17-22(11-12-24-17)18(23)19(9-10-19)13-5-7-14(21)8-6-13/h1-8,17H,9-12H2
InChIKeyDLWUTWJIHIXKKA-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.78
Rot. Bonds3

About [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 122329384) has the molecular formula C19H17ClFNOS and a molecular weight of 361.87 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID122329384
Molecular FormulaC19H17ClFNOS
Molecular Weight361.87 g/mol
Exact Mass361.07
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCSC1c1ccccc1Cl)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClFNOS/c20-16-4-2-1-3-15(16)17-22(11-12-24-17)18(23)19(9-10-19)13-5-7-14(21)8-6-13/h1-8,17H,9-12H2
InChIKeyDLWUTWJIHIXKKA-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone (CID 122329384) is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone is O=C(N1CCSC1c1ccccc1Cl)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is DLWUTWJIHIXKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNOS/c20-16-4-2-1-3-15(16)17-22(11-12-24-17)18(23)19(9-10-19)13-5-7-14(21)8-6-13/h1-8,17H,9-12H2.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 361.87 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 122329384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).