5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine

C15H20N2OS — CID 64744714

IUPAC5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine
SMILESCC1CCC(Oc2ccc3scnc3c2N)CC1C
InChIInChI=1S/C15H20N2OS/c1-9-3-4-11(7-10(9)2)18-12-5-6-13-15(14(12)16)17-8-19-13/h5-6,8-11H,3-4,7,16H2,1-2H3
InChIKeyUMFAGWVVEJZWFG-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.08
Rot. Bonds2

About 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine

5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine (PubChem CID 64744714) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine
PubChem CID64744714
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine
SMILESCC1CCC(Oc2ccc3scnc3c2N)CC1C
InChIInChI=1S/C15H20N2OS/c1-9-3-4-11(7-10(9)2)18-12-5-6-13-15(14(12)16)17-8-19-13/h5-6,8-11H,3-4,7,16H2,1-2H3
InChIKeyUMFAGWVVEJZWFG-UHFFFAOYSA-N
XLogP4.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.08
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-Ethoxy-2-methylsulfonyl-1,3-benzothiazol-4-amine
CID 137650775
4-Benzothiazolamine, 5-(2-fluorophenoxy)-
CID 43383118
5-(4-Fluorophenoxy)-1,3-benzothiazol-4-amine
CID 43383124
5-(3-Fluorophenoxy)-1,3-benzothiazol-4-amine
CID 43383127
5-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-4-amine
CID 43383136
5-(2,2,2-Trifluoroethoxy)-1,3-benzothiazol-4-amine
CID 43451465
5-[2-(Trifluoromethyl)phenoxy]-1,3-benzothiazol-4-amine
CID 43451471
5-(2,4-Difluorophenoxy)-1,3-benzothiazol-4-amine
CID 43451472
5-[3-(Trifluoromethyl)phenoxy]-1,3-benzothiazol-4-amine
CID 43451536
5-[4-(Trifluoromethyl)phenoxy]-1,3-benzothiazol-4-amine
CID 43451559
5-(3,4-Difluorophenoxy)-1,3-benzothiazol-4-amine
CID 43554637
2-[(4-Amino-1,3-benzothiazol-5-yl)oxy]-6-fluorobenzonitrile
CID 43609000

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine (CID 64744714) is 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine is CC1CCC(Oc2ccc3scnc3c2N)CC1C.
What is the InChIKey of 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine?
The InChIKey is UMFAGWVVEJZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-3-4-11(7-10(9)2)18-12-5-6-13-15(14(12)16)17-8-19-13/h5-6,8-11H,3-4,7,16H2,1-2H3.
What are the key properties of 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine?
5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine has a molecular weight of 276.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64744714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).