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

C11H14N2OS — CID 102699127

IUPACN-(2-methoxypropyl)-2,1-benzothiazol-3-amine
SMILESCOC(C)CNc1snc2ccccc12
InChIInChI=1S/C11H14N2OS/c1-8(14-2)7-12-11-9-5-3-4-6-10(9)13-15-11/h3-6,8,12H,7H2,1-2H3
InChIKeyLMCVIYDSFVPYKG-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.74
Rot. Bonds4

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

N-(2-methoxypropyl)-2,1-benzothiazol-3-amine (PubChem CID 102699127) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2,1-benzothiazol-3-amine
PubChem CID102699127
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(2-methoxypropyl)-2,1-benzothiazol-3-amine
SMILESCOC(C)CNc1snc2ccccc12
InChIInChI=1S/C11H14N2OS/c1-8(14-2)7-12-11-9-5-3-4-6-10(9)13-15-11/h3-6,8,12H,7H2,1-2H3
InChIKeyLMCVIYDSFVPYKG-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylpropyl)-2,1-benzothiazol-3-amine
CID 112689727
1-(2,1-benzothiazol-3-ylamino)pentan-2-ol
CID 115622893
N-(1-methoxy-3-methylbutan-2-yl)-2,1-benzothiazol-3-amine
CID 66329031
N-(2-chloroethyl)-2,1-benzothiazol-3-amine
CID 66354488
N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine
CID 63373355
N-(3,3-dimethylbutyl)-2,1-benzothiazol-3-amine
CID 115613150
N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine
CID 66353606
N-(3-methylsulfinylbutyl)-2,1-benzothiazol-3-amine
CID 115715757
ethyl 2-(2,1-benzothiazol-3-ylamino)propanoate
CID 66355714
N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204553
N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine
CID 66356565
N-(1-chloro-2-methylpropan-2-yl)-2,1-benzothiazol-3-amine
CID 66354694

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-(2-methoxypropyl)-2,1-benzothiazol-3-amine (CID 102699127) is N-(2-methoxypropyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-(2-methoxypropyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-(2-methoxypropyl)-2,1-benzothiazol-3-amine is COC(C)CNc1snc2ccccc12.
What is the InChIKey of N-(2-methoxypropyl)-2,1-benzothiazol-3-amine?
The InChIKey is LMCVIYDSFVPYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(14-2)7-12-11-9-5-3-4-6-10(9)13-15-11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of N-(2-methoxypropyl)-2,1-benzothiazol-3-amine?
N-(2-methoxypropyl)-2,1-benzothiazol-3-amine has a molecular weight of 222.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 102699127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).