6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine

C16H24N2OS — CID 79518155

IUPAC6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC(C)CCC(C)C)sc2c1
InChIInChI=1S/C16H24N2OS/c1-5-19-13-8-9-14-15(10-13)20-16(18-14)17-12(4)7-6-11(2)3/h8-12H,5-7H2,1-4H3,(H,17,18)
InChIKeyGOSNMXSKGYFNEY-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.93
Rot. Bonds7

About 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine

6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 79518155) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine
PubChem CID79518155
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC(C)CCC(C)C)sc2c1
InChIInChI=1S/C16H24N2OS/c1-5-19-13-8-9-14-15(10-13)20-16(18-14)17-12(4)7-6-11(2)3/h8-12H,5-7H2,1-4H3,(H,17,18)
InChIKeyGOSNMXSKGYFNEY-UHFFFAOYSA-N
XLogP4.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
6-ethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79518600
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049323
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120558679
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine (CID 79518155) is 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NC(C)CCC(C)C)sc2c1.
What is the InChIKey of 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is GOSNMXSKGYFNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-5-19-13-8-9-14-15(10-13)20-16(18-14)17-12(4)7-6-11(2)3/h8-12H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine?
6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 292.45 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).