2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide

C23H33N5OS2 — CID 155693735

IUPAC2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide
SMILESCCNS(=O)c1cc(N/C(N)=C/C=C(\N)CC)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C23H33N5OS2/c1-3-17(24)10-13-22(25)28-18-11-12-19(21(14-18)31(29)27-4-2)20-15-26-23(30-20)16-8-6-5-7-9-16/h10-16,27-28H,3-9,24-25H2,1-2H3/b17-10-,22-13+
InChIKeyMCIOVWNBQDJXIY-KWHVPRLASA-N
MW459.69 g/mol
LogP4.95
Rot. Bonds9

About 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide

2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide (PubChem CID 155693735) has the molecular formula C23H33N5OS2 and a molecular weight of 459.69 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide
PubChem CID155693735
Molecular FormulaC23H33N5OS2
Molecular Weight459.69 g/mol
Exact Mass459.21
IUPAC Name2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide
SMILESCCNS(=O)c1cc(N/C(N)=C/C=C(\N)CC)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C23H33N5OS2/c1-3-17(24)10-13-22(25)28-18-11-12-19(21(14-18)31(29)27-4-2)20-15-26-23(30-20)16-8-6-5-7-9-16/h10-16,27-28H,3-9,24-25H2,1-2H3/b17-10-,22-13+
InChIKeyMCIOVWNBQDJXIY-KWHVPRLASA-N
XLogP4.95
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.69
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide 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
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-(hydroxymethyl)benzenesulfinamide;propan-2-yl carbamate
CID 155693517
oxetan-3-yl N-[4-[5-(4-carbamoyl-2-ethylsulfinamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115675
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
5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide
CID 155693550
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide;propan-2-yl carbamate
CID 155693603
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-[[N'-[(E)-but-1-enyl]carbamimidoyl]amino]-2-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-(ethylamino)-hydroxy-sulfanylazanium;propan-2-yl butanoate
CID 169263540
1-benzyl-3-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]urea
CID 155429003
1-[3-(tert-butylsulfamoyl)-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 138464898
1-[3-(tert-butylamino)oxysulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3-(1-phenylethyl)urea
CID 167083645

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide?
The IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide (CID 155693735) is 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide.
What is the SMILES notation for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide?
The canonical SMILES for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide is CCNS(=O)c1cc(N/C(N)=C/C=C(\N)CC)ccc1-c1cnc(C2CCCCC2)s1.
What is the InChIKey of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide?
The InChIKey is MCIOVWNBQDJXIY-KWHVPRLASA-N. The full InChI is InChI=1S/C23H33N5OS2/c1-3-17(24)10-13-22(25)28-18-11-12-19(21(14-18)31(29)27-4-2)20-15-26-23(30-20)16-8-6-5-7-9-16/h10-16,27-28H,3-9,24-25H2,1-2H3/b17-10-,22-13+.
What are the key properties of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide?
2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide has a molecular weight of 459.69 g/mol, XLogP of 4.95, 9 rotatable bonds, 4 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)-5-[[(1E,3Z)-1,4-diaminohexa-1,3-dienyl]amino]-N-ethylbenzenesulfinamide is sourced from PubChem (CID 155693735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).