[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone

C20H17ClN2OS — CID 24658232

IUPAC[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCCC1c1ccccc1
InChIInChI=1S/C20H17ClN2OS/c21-16-10-8-15(9-11-16)19-22-17(13-25-19)20(24)23-12-4-7-18(23)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2
InChIKeyKVWPPYZWEOSAPS-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.44
Rot. Bonds3

About [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 24658232) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID24658232
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCCC1c1ccccc1
InChIInChI=1S/C20H17ClN2OS/c21-16-10-8-15(9-11-16)19-22-17(13-25-19)20(24)23-12-4-7-18(23)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2
InChIKeyKVWPPYZWEOSAPS-UHFFFAOYSA-N
XLogP5.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone (CID 24658232) is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCCC1c1ccccc1.
What is the InChIKey of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is KVWPPYZWEOSAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-16-10-8-15(9-11-16)19-22-17(13-25-19)20(24)23-12-4-7-18(23)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2.
What are the key properties of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone?
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 368.89 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 24658232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).