6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine

C9H14N2S — CID 13253394

IUPAC6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
SMILESCC1(C)CCc2nc(N)sc2C1
InChIInChI=1S/C9H14N2S/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-5H2,1-2H3,(H2,10,11)
InChIKeyXELVDVCUWODGKX-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.24
Rot. Bonds

About 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine

6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine (PubChem CID 13253394) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
PubChem CID13253394
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
SMILESCC1(C)CCc2nc(N)sc2C1
InChIInChI=1S/C9H14N2S/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-5H2,1-2H3,(H2,10,11)
InChIKeyXELVDVCUWODGKX-UHFFFAOYSA-N
XLogP2.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?
The IUPAC name of 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine (CID 13253394) is 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?
The canonical SMILES for 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine is CC1(C)CCc2nc(N)sc2C1.
What is the InChIKey of 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?
The InChIKey is XELVDVCUWODGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-5H2,1-2H3,(H2,10,11).
What are the key properties of 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?
6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine is sourced from PubChem (CID 13253394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).