3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol

C22H24ClN3O3S2 — CID 3486120

IUPAC3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol
SMILESO=S(=O)(c1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1)N1CCCC1
InChIInChI=1S/C22H24ClN3O3S2/c23-18-6-8-19(9-7-18)24-22-26(14-3-15-27)21(16-30-22)17-4-10-20(11-5-17)31(28,29)25-12-1-2-13-25/h4-11,16,27H,1-3,12-15H2/b24-22-
InChIKeyVYQCZPJCSMLJNX-GYHWCHFESA-N
MW478.04 g/mol
LogP4.27
Rot. Bonds7

About 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol

3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol (PubChem CID 3486120) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol
PubChem CID3486120
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol
SMILESO=S(=O)(c1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1)N1CCCC1
InChIInChI=1S/C22H24ClN3O3S2/c23-18-6-8-19(9-7-18)24-22-26(14-3-15-27)21(16-30-22)17-4-10-20(11-5-17)31(28,29)25-12-1-2-13-25/h4-11,16,27H,1-3,12-15H2/b24-22-
InChIKeyVYQCZPJCSMLJNX-GYHWCHFESA-N
XLogP4.27
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol?
The IUPAC name of 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol (CID 3486120) is 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol is O=S(=O)(c1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1)N1CCCC1.
What is the InChIKey of 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol?
The InChIKey is VYQCZPJCSMLJNX-GYHWCHFESA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c23-18-6-8-19(9-7-18)24-22-26(14-3-15-27)21(16-30-22)17-4-10-20(11-5-17)31(28,29)25-12-1-2-13-25/h4-11,16,27H,1-3,12-15H2/b24-22-.
What are the key properties of 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol?
3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol has a molecular weight of 478.04 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)imino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol is sourced from PubChem (CID 3486120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).