5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide

C20H29N3OS2 — CID 155693550

IUPAC5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide
SMILESCCCN(CC)S(=O)c1cc(N)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C20H29N3OS2/c1-3-12-23(4-2)26(24)19-13-16(21)10-11-17(19)18-14-22-20(25-18)15-8-6-5-7-9-15/h10-11,13-15H,3-9,12,21H2,1-2H3
InChIKeyJOEWZPPGUVNUTQ-UHFFFAOYSA-N
MW391.61 g/mol
LogP5.19
Rot. Bonds7

About 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide

5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide (PubChem CID 155693550) has the molecular formula C20H29N3OS2 and a molecular weight of 391.61 g/mol. Its IUPAC name is 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide.

Molecular Properties

Compound Name5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide
PubChem CID155693550
Molecular FormulaC20H29N3OS2
Molecular Weight391.61 g/mol
Exact Mass391.18
IUPAC Name5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide
SMILESCCCN(CC)S(=O)c1cc(N)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C20H29N3OS2/c1-3-12-23(4-2)26(24)19-13-16(21)10-11-17(19)18-14-22-20(25-18)15-8-6-5-7-9-15/h10-11,13-15H,3-9,12,21H2,1-2H3
InChIKeyJOEWZPPGUVNUTQ-UHFFFAOYSA-N
XLogP5.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.61
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfinamide;cyclopropyl carbamate
CID 155693539
4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline
CID 169263372
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
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide
CID 155115482
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
N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine
CID 167262323
2-(2-cyclohexyl-1,3-thiazol-5-yl)aniline;ethane;propan-2-yl carbamate
CID 155693682
propan-2-yl N-[4-[5-(4-amino-2-fluorophenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263311
3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane
CID 144869905
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide;propan-2-yl carbamate
CID 155693603
methyl 2-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-(hydroxyamino)phenyl]acetate;propan-2-yl butanoate
CID 169263646

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide?
The IUPAC name of 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide (CID 155693550) is 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide.
What is the SMILES notation for 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide?
The canonical SMILES for 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide is CCCN(CC)S(=O)c1cc(N)ccc1-c1cnc(C2CCCCC2)s1.
What is the InChIKey of 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide?
The InChIKey is JOEWZPPGUVNUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS2/c1-3-12-23(4-2)26(24)19-13-16(21)10-11-17(19)18-14-22-20(25-18)15-8-6-5-7-9-15/h10-11,13-15H,3-9,12,21H2,1-2H3.
What are the key properties of 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide?
5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide has a molecular weight of 391.61 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-N-propylbenzenesulfinamide is sourced from PubChem (CID 155693550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).