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

C12H18N2OS — CID 103987709

IUPAC2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(CC3CCOC3)nc21
InChIInChI=1S/C12H18N2OS/c13-9-2-1-3-10-12(9)14-11(16-10)6-8-4-5-15-7-8/h8-9H,1-7,13H2
InChIKeyOQEVPOSVRMGBOF-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.06
Rot. Bonds2

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

2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 103987709) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID103987709
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(CC3CCOC3)nc21
InChIInChI=1S/C12H18N2OS/c13-9-2-1-3-10-12(9)14-11(16-10)6-8-4-5-15-7-8/h8-9H,1-7,13H2
InChIKeyOQEVPOSVRMGBOF-UHFFFAOYSA-N
XLogP2.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 65128825
[4-methyl-2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987924
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975549
2-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103150142
2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975581
2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984478
[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361262
[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361502
2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80610124
2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976472
2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80684802
3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 103985662

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 103987709) is 2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is NC1CCCc2sc(CC3CCOC3)nc21.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is OQEVPOSVRMGBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-9-2-1-3-10-12(9)14-11(16-10)6-8-4-5-15-7-8/h8-9H,1-7,13H2.
What are the key properties of 2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 238.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 103987709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).