1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine

C13H20N2OS — CID 46784939

IUPAC1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine
SMILESC1CCc2sc(CNCC3CCCO3)nc2C1
InChIInChI=1S/C13H20N2OS/c1-2-6-12-11(5-1)15-13(17-12)9-14-8-10-4-3-7-16-10/h10,14H,1-9H2
InChIKeyPKLOBXYLRLUZOP-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.29
Rot. Bonds4

About 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine

1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine (PubChem CID 46784939) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine
PubChem CID46784939
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine
SMILESC1CCc2sc(CNCC3CCCO3)nc2C1
InChIInChI=1S/C13H20N2OS/c1-2-6-12-11(5-1)15-13(17-12)9-14-8-10-4-3-7-16-10/h10,14H,1-9H2
InChIKeyPKLOBXYLRLUZOP-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine (CID 46784939) is 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine is C1CCc2sc(CNCC3CCCO3)nc2C1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine?
The InChIKey is PKLOBXYLRLUZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-6-12-11(5-1)15-13(17-12)9-14-8-10-4-3-7-16-10/h10,14H,1-9H2.
What are the key properties of 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine has a molecular weight of 252.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 46784939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).