3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine

C15H20N2S — CID 79146531

IUPAC3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCc1cccc2sc(C3(N)CCCC(C)C3)nc12
InChIInChI=1S/C15H20N2S/c1-10-5-4-8-15(16,9-10)14-17-13-11(2)6-3-7-12(13)18-14/h3,6-7,10H,4-5,8-9,16H2,1-2H3
InChIKeyNMXQLANIXRKBFF-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.97
Rot. Bonds1

About 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine

3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine (PubChem CID 79146531) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine
PubChem CID79146531
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCc1cccc2sc(C3(N)CCCC(C)C3)nc12
InChIInChI=1S/C15H20N2S/c1-10-5-4-8-15(16,9-10)14-17-13-11(2)6-3-7-12(13)18-14/h3,6-7,10H,4-5,8-9,16H2,1-2H3
InChIKeyNMXQLANIXRKBFF-UHFFFAOYSA-N
XLogP3.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine (CID 79146531) is 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine is Cc1cccc2sc(C3(N)CCCC(C)C3)nc12.
What is the InChIKey of 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The InChIKey is NMXQLANIXRKBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-5-4-8-15(16,9-10)14-17-13-11(2)6-3-7-12(13)18-14/h3,6-7,10H,4-5,8-9,16H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79146531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).