2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate

C22H33N3O4S2 — CID 155693517

IUPAC2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate
SMILESCC(C)OC(N)=O.CCNS(=O)c1cc(CO)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C18H24N2O2S2.C4H9NO2/c1-2-20-24(22)17-10-13(12-21)8-9-15(17)16-11-19-18(23-16)14-6-4-3-5-7-14;1-3(2)7-4(5)6/h8-11,14,20-21H,2-7,12H2,1H3;3H,1-2H3,(H2,5,6)
InChIKeyNXTVKOCQYAMZIU-UHFFFAOYSA-N
MW467.66 g/mol
LogP4.47
Rot. Bonds7

About 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate

2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate (PubChem CID 155693517) has the molecular formula C22H33N3O4S2 and a molecular weight of 467.66 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate
PubChem CID155693517
Molecular FormulaC22H33N3O4S2
Molecular Weight467.66 g/mol
Exact Mass467.19
IUPAC Name2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate
SMILESCC(C)OC(N)=O.CCNS(=O)c1cc(CO)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C18H24N2O2S2.C4H9NO2/c1-2-20-24(22)17-10-13(12-21)8-9-15(17)16-11-19-18(23-16)14-6-4-3-5-7-14;1-3(2)7-4(5)6/h8-11,14,20-21H,2-7,12H2,1H3;3H,1-2H3,(H2,5,6)
InChIKeyNXTVKOCQYAMZIU-UHFFFAOYSA-N
XLogP4.47
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;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

5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate
CID 155693539
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide;propan-2-yl carbamate
CID 155693603
2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide
CID 155693735
2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate
CID 155693682
4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate
CID 155693657
2-methylpentane;pentan-2-one;propan-2-yl N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-[2-(dimethylamino)ethylsulfinamoyl]phenyl]carbamate
CID 169263589
propan-2-yl carbamate;propan-2-yl N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-(piperidin-1-ylmethyl)phenyl]carbamate
CID 169263334
oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115675
methyl 2-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-(hydroxyamino)phenyl]acetate;propan-2-yl butanoate
CID 169263646
5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide
CID 155693550
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
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide
CID 155115482

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate?
The IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate (CID 155693517) is 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate.
What is the SMILES notation for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate?
The canonical SMILES for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate is CC(C)OC(N)=O.CCNS(=O)c1cc(CO)ccc1-c1cnc(C2CCCCC2)s1.
What is the InChIKey of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate?
The InChIKey is NXTVKOCQYAMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2.C4H9NO2/c1-2-20-24(22)17-10-13(12-21)8-9-15(17)16-11-19-18(23-16)14-6-4-3-5-7-14;1-3(2)7-4(5)6/h8-11,14,20-21H,2-7,12H2,1H3;3H,1-2H3,(H2,5,6).
What are the key properties of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate?
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate has a molecular weight of 467.66 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate is sourced from PubChem (CID 155693517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).