N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine

C14H18N2S — CID 62814998

IUPACN-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine
SMILESCC1CCCCC1Nc1snc2ccccc12
InChIInChI=1S/C14H18N2S/c1-10-6-2-4-8-12(10)15-14-11-7-3-5-9-13(11)16-17-14/h3,5,7,9-10,12,15H,2,4,6,8H2,1H3
InChIKeyHRBQDRWTPFOUKG-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.29
Rot. Bonds2

About N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine

N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine (PubChem CID 62814998) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine
PubChem CID62814998
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine
SMILESCC1CCCCC1Nc1snc2ccccc12
InChIInChI=1S/C14H18N2S/c1-10-6-2-4-8-12(10)15-14-11-7-3-5-9-13(11)16-17-14/h3,5,7,9-10,12,15H,2,4,6,8H2,1H3
InChIKeyHRBQDRWTPFOUKG-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine (CID 62814998) is N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine is CC1CCCCC1Nc1snc2ccccc12.
What is the InChIKey of N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine?
The InChIKey is HRBQDRWTPFOUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-6-2-4-8-12(10)15-14-11-7-3-5-9-13(11)16-17-14/h3,5,7,9-10,12,15H,2,4,6,8H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine?
N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine has a molecular weight of 246.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 62814998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).