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

C13H22N2OS — CID 113391638

IUPAC2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCOC(C)Cc1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C13H22N2OS/c1-8(16-4)5-11-15-10-7-13(2,3)6-9(14)12(10)17-11/h8-9H,5-7,14H2,1-4H3
InChIKeyZCMSHIVVZISQDN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.69
Rot. Bonds3

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

2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 113391638) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID113391638
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCOC(C)Cc1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C13H22N2OS/c1-8(16-4)5-11-15-10-7-13(2,3)6-9(14)12(10)17-11/h8-9H,5-7,14H2,1-4H3
InChIKeyZCMSHIVVZISQDN-UHFFFAOYSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-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 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 113391638) is 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is COC(C)Cc1nc2c(s1)C(N)CC(C)(C)C2.
What is the InChIKey of 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is ZCMSHIVVZISQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-8(16-4)5-11-15-10-7-13(2,3)6-9(14)12(10)17-11/h8-9H,5-7,14H2,1-4H3.
What are the key properties of 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 254.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 113391638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).