5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H26N2OS — CID 62312573

IUPAC5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(C3CCOC3)sc21
InChIInChI=1S/C16H26N2OS/c1-4-6-17-12-8-16(2,3)9-13-14(12)20-15(18-13)11-5-7-19-10-11/h11-12,17H,4-10H2,1-3H3
InChIKeyVPWWYFFASJNJTO-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.66
Rot. Bonds4

About 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62312573) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62312573
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(C3CCOC3)sc21
InChIInChI=1S/C16H26N2OS/c1-4-6-17-12-8-16(2,3)9-13-14(12)20-15(18-13)11-5-7-19-10-11/h11-12,17H,4-10H2,1-3H3
InChIKeyVPWWYFFASJNJTO-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-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

N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62387018
5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749868
2-cycloheptyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 65398906
5,5-dimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65334457
2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 106815126
2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116502754
2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 107125227
N-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62315083
2-(3-bromothiophen-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115381089
N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749694
2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79411678
N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 106445601

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62312573) is 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCCNC1CC(C)(C)Cc2nc(C3CCOC3)sc21.
What is the InChIKey of 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is VPWWYFFASJNJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-6-17-12-8-16(2,3)9-13-14(12)20-15(18-13)11-5-7-19-10-11/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 294.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62312573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).