5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C13H20N2OS — CID 65328879

IUPAC5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(C3CCCO3)sc2C(N)C1
InChIInChI=1S/C13H20N2OS/c1-13(2)6-8(14)11-9(7-13)15-12(17-11)10-4-3-5-16-10/h8,10H,3-7,14H2,1-2H3
InChIKeyPFBAICUAZYOVBB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.97
Rot. Bonds1

About 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 65328879) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID65328879
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(C3CCCO3)sc2C(N)C1
InChIInChI=1S/C13H20N2OS/c1-13(2)6-8(14)11-9(7-13)15-12(17-11)10-4-3-5-16-10/h8,10H,3-7,14H2,1-2H3
InChIKeyPFBAICUAZYOVBB-UHFFFAOYSA-N
XLogP2.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 65328879) is 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CC1(C)Cc2nc(C3CCCO3)sc2C(N)C1.
What is the InChIKey of 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is PFBAICUAZYOVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2)6-8(14)11-9(7-13)15-12(17-11)10-4-3-5-16-10/h8,10H,3-7,14H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 252.38 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 65328879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).