4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate

C24H36N4O4S2 — CID 155693657

IUPAC4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate
SMILESCC(C)OC(N)=O.CNc1ccc(-c2cnc(C3CCCCC3)s2)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H27N3O2S2.C4H9NO2/c1-21-16-9-10-17(19(13-16)27(24,25)23-11-5-6-12-23)18-14-22-20(26-18)15-7-3-2-4-8-15;1-3(2)7-4(5)6/h9-10,13-15,21H,2-8,11-12H2,1H3;3H,1-2H3,(H2,5,6)
InChIKeyATYJAIWGDBSJSF-UHFFFAOYSA-N
MW508.71 g/mol
LogP5.17
Rot. Bonds6

About 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate

4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate (PubChem CID 155693657) has the molecular formula C24H36N4O4S2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate.

Molecular Properties

Compound Name4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate
PubChem CID155693657
Molecular FormulaC24H36N4O4S2
Molecular Weight508.71 g/mol
Exact Mass508.22
IUPAC Name4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate
SMILESCC(C)OC(N)=O.CNc1ccc(-c2cnc(C3CCCCC3)s2)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H27N3O2S2.C4H9NO2/c1-21-16-9-10-17(19(13-16)27(24,25)23-11-5-6-12-23)18-14-22-20(26-18)15-7-3-2-4-8-15;1-3(2)7-4(5)6/h9-10,13-15,21H,2-8,11-12H2,1H3;3H,1-2H3,(H2,5,6)
InChIKeyATYJAIWGDBSJSF-UHFFFAOYSA-N
XLogP5.17
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate 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

diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 160909391
propan-2-yl carbamate;propan-2-yl N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-(piperidin-1-ylmethyl)phenyl]carbamate
CID 169263334
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide;propan-2-yl carbamate
CID 155693603
tert-butyl 4-[2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-(propan-2-yloxycarbonylamino)phenyl]piperazine-1-carboxylate;propan-2-yl carbamate
CID 169263449
2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate
CID 155693682
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate
CID 155693517
propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100749
propan-2-yl N-[3-(tert-butylsulfamoyl)-4-[2-[4-[[(2S)-1-methylpyrrolidin-2-yl]methylcarbamoylamino]cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 138741225
1-[3-(tert-butylsulfamoyl)-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 138464898
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide
CID 155693695
propan-2-yl N-[4-[5-[4-(1,2-oxazol-3-ylamino)-2-(propan-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262013
propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-2-pyridinyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262093

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate?
The IUPAC name of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate (CID 155693657) is 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate.
What is the SMILES notation for 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate?
The canonical SMILES for 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate is CC(C)OC(N)=O.CNc1ccc(-c2cnc(C3CCCCC3)s2)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate?
The InChIKey is ATYJAIWGDBSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S2.C4H9NO2/c1-21-16-9-10-17(19(13-16)27(24,25)23-11-5-6-12-23)18-14-22-20(26-18)15-7-3-2-4-8-15;1-3(2)7-4(5)6/h9-10,13-15,21H,2-8,11-12H2,1H3;3H,1-2H3,(H2,5,6).
What are the key properties of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate?
4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate has a molecular weight of 508.71 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate is sourced from PubChem (CID 155693657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).