N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine

C17H24N2S — CID 65084135

IUPACN-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCCC1CCCC(Nc2ccc3nc(C)sc3c2)CC1
InChIInChI=1S/C17H24N2S/c1-3-13-5-4-6-14(8-7-13)19-15-9-10-16-17(11-15)20-12(2)18-16/h9-11,13-14,19H,3-8H2,1-2H3
InChIKeyXOKANRIOZUMDOC-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.38
Rot. Bonds3

About N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine

N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 65084135) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID65084135
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCCC1CCCC(Nc2ccc3nc(C)sc3c2)CC1
InChIInChI=1S/C17H24N2S/c1-3-13-5-4-6-14(8-7-13)19-15-9-10-16-17(11-15)20-12(2)18-16/h9-11,13-14,19H,3-8H2,1-2H3
InChIKeyXOKANRIOZUMDOC-UHFFFAOYSA-N
XLogP5.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylcycloheptyl)-1,3-benzothiazol-6-amine
CID 107803878
N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine
CID 64751144
N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
CID 79860294
2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60848317
6-[(4-ethylcycloheptyl)amino]-4H-1,4-benzothiazin-3-one
CID 65084450
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
2-N-(3-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 64748026
N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide
CID 65084031
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65083445
4-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955577
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine (CID 65084135) is N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine is CCC1CCCC(Nc2ccc3nc(C)sc3c2)CC1.
What is the InChIKey of N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is XOKANRIOZUMDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-13-5-4-6-14(8-7-13)19-15-9-10-16-17(11-15)20-12(2)18-16/h9-11,13-14,19H,3-8H2,1-2H3.
What are the key properties of N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine?
N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 288.46 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 65084135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).