2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

C16H27N3OS — CID 62752046

IUPAC2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCN(CC1CCCCO1)c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C16H27N3OS/c1-16(2)8-12(17)14-13(9-16)18-15(21-14)19(3)10-11-6-4-5-7-20-11/h11-12H,4-10,17H2,1-3H3
InChIKeyDUGHZIBZPKRTQM-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.12
Rot. Bonds3

About 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (PubChem CID 62752046) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
PubChem CID62752046
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCN(CC1CCCCO1)c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C16H27N3OS/c1-16(2)8-12(17)14-13(9-16)18-15(21-14)19(3)10-11-6-4-5-7-20-11/h11-12H,4-10,17H2,1-3H3
InChIKeyDUGHZIBZPKRTQM-UHFFFAOYSA-N
XLogP3.12
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 65328879
2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55114086
2-N,5,5-trimethyl-2-N-(oxolan-3-yl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 82754821
2-N,5,5-trimethyl-2-N-[(2-methylfuran-3-yl)methyl]-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750540
4-chloro-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687155
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 103191884
2-N-cyclopropyl-5,5-dimethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750176
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768551
2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089743
4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765122
[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62753863
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768405

Frequently Asked Questions

What is the IUPAC name of 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (CID 62752046) is 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is CN(CC1CCCCO1)c1nc2c(s1)C(N)CC(C)(C)C2.
What is the InChIKey of 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The InChIKey is DUGHZIBZPKRTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-16(2)8-12(17)14-13(9-16)18-15(21-14)19(3)10-11-6-4-5-7-20-11/h11-12H,4-10,17H2,1-3H3.
What are the key properties of 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine has a molecular weight of 309.48 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62752046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).