2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H28N2OS — CID 116774476

IUPAC2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC(CC)(OC)c1nc2c(s1)C(NC)CC(C)(C)C2
InChIInChI=1S/C16H28N2OS/c1-7-16(8-2,19-6)14-18-12-10-15(3,4)9-11(17-5)13(12)20-14/h11,17H,7-10H2,1-6H3
InChIKeyOEGCGUDQZPFFSZ-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.04
Rot. Bonds5

About 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 116774476) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID116774476
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC(CC)(OC)c1nc2c(s1)C(NC)CC(C)(C)C2
InChIInChI=1S/C16H28N2OS/c1-7-16(8-2,19-6)14-18-12-10-15(3,4)9-11(17-5)13(12)20-14/h11,17H,7-10H2,1-6H3
InChIKeyOEGCGUDQZPFFSZ-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-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

Related Compounds

2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79616254
2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090255
2-N-ethyl-2-N-(2-methoxyethyl)-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752906
N,5,5-trimethyl-2-(methylsulfanylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62693627
2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750758
2-(azepan-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62751071
N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62387018
2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115346941
2-(3-ethyl-1,4-dithian-2-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115388344
N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 80684193
2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 102968446
2-(4-fluorophenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089745

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 116774476) is 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCC(CC)(OC)c1nc2c(s1)C(NC)CC(C)(C)C2.
What is the InChIKey of 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is OEGCGUDQZPFFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-7-16(8-2,19-6)14-18-12-10-15(3,4)9-11(17-5)13(12)20-14/h11,17H,7-10H2,1-6H3.
What are the key properties of 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 296.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 116774476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).