2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C14H23NOS2 — CID 65132754

IUPAC2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(CSC(C)(C)C)sc2C(O)C1
InChIInChI=1S/C14H23NOS2/c1-13(2,3)17-8-11-15-9-6-14(4,5)7-10(16)12(9)18-11/h10,16H,6-8H2,1-5H3
InChIKeyNXDCSQWQHOZTHL-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.18
Rot. Bonds2

About 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 65132754) has the molecular formula C14H23NOS2 and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID65132754
Molecular FormulaC14H23NOS2
Molecular Weight285.48 g/mol
Exact Mass285.12
IUPAC Name2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(CSC(C)(C)C)sc2C(O)C1
InChIInChI=1S/C14H23NOS2/c1-13(2,3)17-8-11-15-9-6-14(4,5)7-10(16)12(9)18-11/h10,16H,6-8H2,1-5H3
InChIKeyNXDCSQWQHOZTHL-UHFFFAOYSA-N
XLogP4.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol 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-[(3-methylphenyl)sulfanylmethyl]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 66088181
5,5-dimethyl-2-[(3-methylphenyl)methyl]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62090802
2-[(2,4-difluorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 64558717
2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754872
5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65197775
N,5,5-trimethyl-2-(methylsulfanylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62693627
5,5-dimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65334457
2-(3,5-dimethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752444
2-[butan-2-yl(ethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753160
2-[cyclopropylmethyl(ethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 63940672
2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754525
2-(3,4-dichlorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 81492702

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 65132754) is 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1(C)Cc2nc(CSC(C)(C)C)sc2C(O)C1.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is NXDCSQWQHOZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS2/c1-13(2,3)17-8-11-15-9-6-14(4,5)7-10(16)12(9)18-11/h10,16H,6-8H2,1-5H3.
What are the key properties of 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 285.48 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 65132754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).