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

C12H18N2OS — CID 4885214

IUPACN-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESC1CCc2sc(NCC3CCCO3)nc2C1
InChIInChI=1S/C12H18N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h9H,1-8H2,(H,13,14)
InChIKeyKTSYAPLOCIVVEN-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.61
Rot. Bonds3

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

N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 4885214) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID4885214
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESC1CCc2sc(NCC3CCCO3)nc2C1
InChIInChI=1S/C12H18N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h9H,1-8H2,(H,13,14)
InChIKeyKTSYAPLOCIVVEN-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 4885214) is N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is C1CCc2sc(NCC3CCCO3)nc2C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is KTSYAPLOCIVVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h9H,1-8H2,(H,13,14).
What are the key properties of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 238.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 4885214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).