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

C9H14N2S — CID 11528461

IUPAC4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine
SMILESCC1(C)CCCc2sc(N)nc21
InChIInChI=1S/C9H14N2S/c1-9(2)5-3-4-6-7(9)11-8(10)12-6/h3-5H2,1-2H3,(H2,10,11)
InChIKeyQPCCZQZWCFTCOU-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.34
Rot. Bonds

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

4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine (PubChem CID 11528461) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine
PubChem CID11528461
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine
SMILESCC1(C)CCCc2sc(N)nc21
InChIInChI=1S/C9H14N2S/c1-9(2)5-3-4-6-7(9)11-8(10)12-6/h3-5H2,1-2H3,(H2,10,11)
InChIKeyQPCCZQZWCFTCOU-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine?
The IUPAC name of 4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine (CID 11528461) is 4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine is CC1(C)CCCc2sc(N)nc21.
What is the InChIKey of 4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine?
The InChIKey is QPCCZQZWCFTCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-9(2)5-3-4-6-7(9)11-8(10)12-6/h3-5H2,1-2H3,(H2,10,11).
What are the key properties of 4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine?
4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-amine is sourced from PubChem (CID 11528461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).