N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine

C15H20N2S — CID 66354450

IUPACN-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine
SMILESCC1CCC(Nc2snc3ccccc23)CC1C
InChIInChI=1S/C15H20N2S/c1-10-7-8-12(9-11(10)2)16-15-13-5-3-4-6-14(13)17-18-15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyVYCIBQXKXYOFFQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.53
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine

N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine (PubChem CID 66354450) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine
PubChem CID66354450
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine
SMILESCC1CCC(Nc2snc3ccccc23)CC1C
InChIInChI=1S/C15H20N2S/c1-10-7-8-12(9-11(10)2)16-15-13-5-3-4-6-14(13)17-18-15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyVYCIBQXKXYOFFQ-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine (CID 66354450) is N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine is CC1CCC(Nc2snc3ccccc23)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine?
The InChIKey is VYCIBQXKXYOFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-7-8-12(9-11(10)2)16-15-13-5-3-4-6-14(13)17-18-15/h3-6,10-12,16H,7-9H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine?
N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine has a molecular weight of 260.41 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 66354450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).