5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate

C21H30N4O3S2 — CID 155693539

IUPAC5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate
SMILESCCNS(=O)c1cc(N)ccc1-c1cnc(C2CCCCC2)s1.NC(=O)OC1CC1
InChIInChI=1S/C17H23N3OS2.C4H7NO2/c1-2-20-23(21)16-10-13(18)8-9-14(16)15-11-19-17(22-15)12-6-4-3-5-7-12;5-4(6)7-3-1-2-3/h8-12,20H,2-7,18H2,1H3;3H,1-2H2,(H2,5,6)
InChIKeyNEAYUCVNDTXAFG-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.32
Rot. Bonds6

About 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate

5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate (PubChem CID 155693539) has the molecular formula C21H30N4O3S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate.

Molecular Properties

Compound Name5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate
PubChem CID155693539
Molecular FormulaC21H30N4O3S2
Molecular Weight450.63 g/mol
Exact Mass450.18
IUPAC Name5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate
SMILESCCNS(=O)c1cc(N)ccc1-c1cnc(C2CCCCC2)s1.NC(=O)OC1CC1
InChIInChI=1S/C17H23N3OS2.C4H7NO2/c1-2-20-23(21)16-10-13(18)8-9-14(16)15-11-19-17(22-15)12-6-4-3-5-7-12;5-4(6)7-3-1-2-3/h8-12,20H,2-7,18H2,1H3;3H,1-2H2,(H2,5,6)
InChIKeyNEAYUCVNDTXAFG-UHFFFAOYSA-N
XLogP4.32
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate
CID 155693517
2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide
CID 155693735
oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115675
5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide
CID 155693550
4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline
CID 169263372
[4-[5-(4-bromo-2-propan-2-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl] carbamate
CID 168724964
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)aniline;ethane;propan-2-yl carbamate
CID 155693682
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
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide
CID 155115482
[4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate
CID 175354474
[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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate?
The IUPAC name of 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate (CID 155693539) is 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate.
What is the SMILES notation for 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate?
The canonical SMILES for 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate is CCNS(=O)c1cc(N)ccc1-c1cnc(C2CCCCC2)s1.NC(=O)OC1CC1.
What is the InChIKey of 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate?
The InChIKey is NEAYUCVNDTXAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2.C4H7NO2/c1-2-20-23(21)16-10-13(18)8-9-14(16)15-11-19-17(22-15)12-6-4-3-5-7-12;5-4(6)7-3-1-2-3/h8-12,20H,2-7,18H2,1H3;3H,1-2H2,(H2,5,6).
What are the key properties of 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate?
5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate has a molecular weight of 450.63 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate is sourced from PubChem (CID 155693539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).