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

C17H28N2S2 — CID 65144649

IUPAC2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(CSC3CCCCC3)sc21
InChIInChI=1S/C17H28N2S2/c1-17(2)9-13(18-3)16-14(10-17)19-15(21-16)11-20-12-7-5-4-6-8-12/h12-13,18H,4-11H2,1-3H3
InChIKeyCXLMVGBKYFSCLY-UHFFFAOYSA-N
MW324.56 g/mol
LogP4.94
Rot. Bonds4

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

2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 65144649) has the molecular formula C17H28N2S2 and a molecular weight of 324.56 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID65144649
Molecular FormulaC17H28N2S2
Molecular Weight324.56 g/mol
Exact Mass324.17
IUPAC Name2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(CSC3CCCCC3)sc21
InChIInChI=1S/C17H28N2S2/c1-17(2)9-13(18-3)16-14(10-17)19-15(21-16)11-20-12-7-5-4-6-8-12/h12-13,18H,4-11H2,1-3H3
InChIKeyCXLMVGBKYFSCLY-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclohexylsulfanylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 65144649) is 2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(CSC3CCCCC3)sc21.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is CXLMVGBKYFSCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S2/c1-17(2)9-13(18-3)16-14(10-17)19-15(21-16)11-20-12-7-5-4-6-8-12/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 324.56 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 65144649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).