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

C15H20N2S — CID 66355084

IUPACN-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine
SMILESCC1CCCCCC1Nc1snc2ccccc12
InChIInChI=1S/C15H20N2S/c1-11-7-3-2-4-9-13(11)16-15-12-8-5-6-10-14(12)17-18-15/h5-6,8,10-11,13,16H,2-4,7,9H2,1H3
InChIKeyHIVVJVJWUUSBQS-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.68
Rot. Bonds2

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

N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine (PubChem CID 66355084) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine
PubChem CID66355084
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine
SMILESCC1CCCCCC1Nc1snc2ccccc12
InChIInChI=1S/C15H20N2S/c1-11-7-3-2-4-9-13(11)16-15-12-8-5-6-10-14(12)17-18-15/h5-6,8,10-11,13,16H,2-4,7,9H2,1H3
InChIKeyHIVVJVJWUUSBQS-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2,1-benzothiazol-3-amine
CID 66354450
3-methyl-N-(2-methylcyclohexyl)quinoxalin-2-amine
CID 60730168
4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
CID 80776922
4-[(2-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668956
1-[(2,1-benzothiazol-3-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 66354872
N-(dicyclopropylmethyl)-2,1-benzothiazol-3-amine
CID 66355508
N-[2-(4-methylcyclohexyl)ethyl]-2,1-benzothiazol-3-amine
CID 66353612
N-(2-methylcyclohexyl)pyridin-2-amine
CID 43079705
4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
CID 103348955
1-[(2,1-benzothiazol-3-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 66354873
5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382541
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine (CID 66355084) is N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine is CC1CCCCCC1Nc1snc2ccccc12.
What is the InChIKey of N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine?
The InChIKey is HIVVJVJWUUSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-7-3-2-4-9-13(11)16-15-12-8-5-6-10-14(12)17-18-15/h5-6,8,10-11,13,16H,2-4,7,9H2,1H3.
What are the key properties of N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine?
N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine has a molecular weight of 260.41 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 66355084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).