[4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate

C19H23BrN2O4S2 — CID 168724964

IUPAC[4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate
SMILESCC(C)S(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCC(OC(N)=O)CC2)s1
InChIInChI=1S/C19H23BrN2O4S2/c1-11(2)28(24,25)17-9-13(20)5-8-15(17)16-10-22-18(27-16)12-3-6-14(7-4-12)26-19(21)23/h5,8-12,14H,3-4,6-7H2,1-2H3,(H2,21,23)
InChIKeyUORKGMKMZOZCBG-UHFFFAOYSA-N
MW487.44 g/mol
LogP4.88
Rot. Bonds5

About [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate

[4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate (PubChem CID 168724964) has the molecular formula C19H23BrN2O4S2 and a molecular weight of 487.44 g/mol. Its IUPAC name is [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate
PubChem CID168724964
Molecular FormulaC19H23BrN2O4S2
Molecular Weight487.44 g/mol
Exact Mass486.03
IUPAC Name[4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate
SMILESCC(C)S(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCC(OC(N)=O)CC2)s1
InChIInChI=1S/C19H23BrN2O4S2/c1-11(2)28(24,25)17-9-13(20)5-8-15(17)16-10-22-18(27-16)12-3-6-14(7-4-12)26-19(21)23/h5,8-12,14H,3-4,6-7H2,1-2H3,(H2,21,23)
InChIKeyUORKGMKMZOZCBG-UHFFFAOYSA-N
XLogP4.88
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide;propan-2-yl carbamate
CID 155693603
[4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate
CID 175354474
[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate
CID 175045178
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide
CID 155115482
5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate
CID 155693539
5-methylpyridazin-3-amine;propan-2-yl N-[4-[5-[4-bromo-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-methylpyridazin-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 158006819
4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate
CID 155693657
butan-2-yl N-[4-[5-[4-bromo-2-(tert-butylamino)sulfanylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262603
propan-2-yl N-[4-[5-[4-carbamoyl-2-(ethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155100692
[4-[5-[2-carbamoyl-4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate
CID 175377630
propan-2-yl N-[4-[5-[4-(2-aminoethoxy)-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115533
tert-butyl N-[4-[5-[4-bromo-2-(ethylaminomethylsulfinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 163411458

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate?
The IUPAC name of [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate (CID 168724964) is [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate.
What is the SMILES notation for [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate?
The canonical SMILES for [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate is CC(C)S(=O)(=O)c1cc(Br)ccc1-c1cnc(C2CCC(OC(N)=O)CC2)s1.
What is the InChIKey of [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate?
The InChIKey is UORKGMKMZOZCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S2/c1-11(2)28(24,25)17-9-13(20)5-8-15(17)16-10-22-18(27-16)12-3-6-14(7-4-12)26-19(21)23/h5,8-12,14H,3-4,6-7H2,1-2H3,(H2,21,23).
What are the key properties of [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate?
[4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate has a molecular weight of 487.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate is sourced from PubChem (CID 168724964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).