4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole

C18H19N3O2S3 — CID 9422820

IUPAC4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
SMILESCc1csc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)n1
InChIInChI=1S/C18H19N3O2S3/c1-13-11-24-17(19-13)10-18-20-16(12-25-18)14-4-6-15(7-5-14)26(22,23)21-8-2-3-9-21/h4-7,11-12H,2-3,8-10H2,1H3
InChIKeyLSPJLJMGMDUEHD-UHFFFAOYSA-N
MW405.57 g/mol
LogP3.95
Rot. Bonds5

About 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole

4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole (PubChem CID 9422820) has the molecular formula C18H19N3O2S3 and a molecular weight of 405.57 g/mol. Its IUPAC name is 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
PubChem CID9422820
Molecular FormulaC18H19N3O2S3
Molecular Weight405.57 g/mol
Exact Mass405.06
IUPAC Name4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
SMILESCc1csc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)n1
InChIInChI=1S/C18H19N3O2S3/c1-13-11-24-17(19-13)10-18-20-16(12-25-18)14-4-6-15(7-5-14)26(22,23)21-8-2-3-9-21/h4-7,11-12H,2-3,8-10H2,1H3
InChIKeyLSPJLJMGMDUEHD-UHFFFAOYSA-N
XLogP3.95
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 55630104
1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 157283485
1-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
CID 55921685
3-ethyl-1-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentan-2-one
CID 157094162
1-[4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 60603912
2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 35618551
1-[2-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
CID 52587338
N-propyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8962774
1-(2-methylphenoxy)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 159448954
N-(3,5-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 1118677
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122
2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1033169

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole (CID 9422820) is 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole is Cc1csc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)n1.
What is the InChIKey of 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The InChIKey is LSPJLJMGMDUEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S3/c1-13-11-24-17(19-13)10-18-20-16(12-25-18)14-4-6-15(7-5-14)26(22,23)21-8-2-3-9-21/h4-7,11-12H,2-3,8-10H2,1H3.
What are the key properties of 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole has a molecular weight of 405.57 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 9422820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).