3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one

C20H17ClN2OS — CID 132655339

IUPAC3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccn(-c3ccccc3Cl)c2)N1Cc1ccccc1
InChIInChI=1S/C20H17ClN2OS/c21-17-8-4-5-9-18(17)22-11-10-16(13-22)20-23(19(24)14-25-20)12-15-6-2-1-3-7-15/h1-11,13,20H,12,14H2
InChIKeyNUQUODQDAUHKSK-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.90
Rot. Bonds4

About 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one

3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one (PubChem CID 132655339) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
PubChem CID132655339
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccn(-c3ccccc3Cl)c2)N1Cc1ccccc1
InChIInChI=1S/C20H17ClN2OS/c21-17-8-4-5-9-18(17)22-11-10-16(13-22)20-23(19(24)14-25-20)12-15-6-2-1-3-7-15/h1-11,13,20H,12,14H2
InChIKeyNUQUODQDAUHKSK-UHFFFAOYSA-N
XLogP4.90
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one (CID 132655339) is 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccn(-c3ccccc3Cl)c2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
The InChIKey is NUQUODQDAUHKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-17-8-4-5-9-18(17)22-11-10-16(13-22)20-23(19(24)14-25-20)12-15-6-2-1-3-7-15/h1-11,13,20H,12,14H2.
What are the key properties of 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one has a molecular weight of 368.89 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 132655339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).