N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine

C13H18N2OS — CID 115747923

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1nc2ccccc2s1
InChIInChI=1S/C13H18N2OS/c1-13(2,9-16-3)14-8-12-15-10-6-4-5-7-11(10)17-12/h4-7,14H,8-9H2,1-3H3
InChIKeyLISVYMYXCQXQOE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.81
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine

N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine (PubChem CID 115747923) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine
PubChem CID115747923
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1nc2ccccc2s1
InChIInChI=1S/C13H18N2OS/c1-13(2,9-16-3)14-8-12-15-10-6-4-5-7-11(10)17-12/h4-7,14H,8-9H2,1-3H3
InChIKeyLISVYMYXCQXQOE-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255133
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxyaniline
CID 60672849
3-(1,3-benzothiazol-2-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 81413619
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide
CID 60681450
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-4-methoxybutan-1-amine
CID 106242705
N-(1,3-benzothiazol-2-ylmethyl)-3-methylpentan-2-amine
CID 43204584
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
2-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899482
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine (CID 115747923) is N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine is COCC(C)(C)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine?
The InChIKey is LISVYMYXCQXQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-13(2,9-16-3)14-8-12-15-10-6-4-5-7-11(10)17-12/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine?
N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 115747923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).