N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine

C14H18N2OS — CID 82834430

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(CNCc2nc3ccccc3s2)O1
InChIInChI=1S/C14H18N2OS/c1-10-6-7-11(17-10)8-15-9-14-16-12-4-2-3-5-13(12)18-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyKUEMAURFZFPDMO-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.95
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine (PubChem CID 82834430) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine
PubChem CID82834430
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(CNCc2nc3ccccc3s2)O1
InChIInChI=1S/C14H18N2OS/c1-10-6-7-11(17-10)8-15-9-14-16-12-4-2-3-5-13(12)18-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyKUEMAURFZFPDMO-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107417972
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 80553613
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 82836838
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
N-(1,3-benzothiazol-2-ylmethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
CID 66396186
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 28665172
(2R)-1-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95606777
3-(1,3-benzothiazol-2-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 81413619
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiolan-3-amine
CID 79942790

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine (CID 82834430) is N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine is CC1CCC(CNCc2nc3ccccc3s2)O1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine?
The InChIKey is KUEMAURFZFPDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-6-7-11(17-10)8-15-9-14-16-12-4-2-3-5-13(12)18-14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.95, 4 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-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 82834430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).