2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate

C23H39N3O2S — CID 155693682

IUPAC2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate
SMILESCC.CC.CC(C)OC(N)=O.Nc1ccccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C15H18N2S.C4H9NO2.2C2H6/c16-13-9-5-4-8-12(13)14-10-17-15(18-14)11-6-2-1-3-7-11;1-3(2)7-4(5)6;2*1-2/h4-5,8-11H,1-3,6-7,16H2;3H,1-2H3,(H2,5,6);2*1-2H3
InChIKeyJRQIKBCHQCXBEO-UHFFFAOYSA-N
MW421.65 g/mol
LogP6.98
Rot. Bonds3

About 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate

2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate (PubChem CID 155693682) has the molecular formula C23H39N3O2S and a molecular weight of 421.65 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate
PubChem CID155693682
Molecular FormulaC23H39N3O2S
Molecular Weight421.65 g/mol
Exact Mass421.28
IUPAC Name2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate
SMILESCC.CC.CC(C)OC(N)=O.Nc1ccccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C15H18N2S.C4H9NO2.2C2H6/c16-13-9-5-4-8-12(13)14-10-17-15(18-14)11-6-2-1-3-7-11;1-3(2)7-4(5)6;2*1-2/h4-5,8-11H,1-3,6-7,16H2;3H,1-2H3,(H2,5,6);2*1-2H3
InChIKeyJRQIKBCHQCXBEO-UHFFFAOYSA-N
XLogP6.98
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.65
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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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-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylaniline;propan-2-yl carbamate
CID 155693657
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate
CID 155693517
propan-2-yl carbamate;propan-2-yl N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-(piperidin-1-ylmethyl)phenyl]carbamate
CID 169263334
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
4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline
CID 169263372
2-cyclopentyl-5-phenyl-1,3-thiazole
CID 174113230
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115451
propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263311
5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate
CID 155693539
methyl 2-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-(hydroxyamino)phenyl]acetate;propan-2-yl butanoate
CID 169263646
azane;methane;propan-2-yl N-[4-[5-(2-chlorosulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-(2-sulfamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;hydrate
CID 167702923

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate?
The IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate (CID 155693682) is 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate.
What is the SMILES notation for 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate?
The canonical SMILES for 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate is CC.CC.CC(C)OC(N)=O.Nc1ccccc1-c1cnc(C2CCCCC2)s1.
What is the InChIKey of 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate?
The InChIKey is JRQIKBCHQCXBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S.C4H9NO2.2C2H6/c16-13-9-5-4-8-12(13)14-10-17-15(18-14)11-6-2-1-3-7-11;1-3(2)7-4(5)6;2*1-2/h4-5,8-11H,1-3,6-7,16H2;3H,1-2H3,(H2,5,6);2*1-2H3.
What are the key properties of 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate?
2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate has a molecular weight of 421.65 g/mol, XLogP of 6.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate is sourced from PubChem (CID 155693682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).