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

C18H15ClN4OS — CID 122329340

IUPAC[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C18H15ClN4OS/c19-15-9-5-4-8-14(15)18-22(10-11-25-18)17(24)16-12-20-23(21-16)13-6-2-1-3-7-13/h1-9,12,18H,10-11H2
InChIKeyOUGBHEHBNKFETH-UHFFFAOYSA-N
MW370.87 g/mol
LogP3.81
Rot. Bonds3

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

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 122329340) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID122329340
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C18H15ClN4OS/c19-15-9-5-4-8-14(15)18-22(10-11-25-18)17(24)16-12-20-23(21-16)13-6-2-1-3-7-13/h1-9,12,18H,10-11H2
InChIKeyOUGBHEHBNKFETH-UHFFFAOYSA-N
XLogP3.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone (CID 122329340) is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)n1)N1CCSC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is OUGBHEHBNKFETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c19-15-9-5-4-8-14(15)18-22(10-11-25-18)17(24)16-12-20-23(21-16)13-6-2-1-3-7-13/h1-9,12,18H,10-11H2.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone?
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 370.87 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 122329340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).