6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane

C14H25NS — CID 163248763

IUPAC6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane
SMILESCC.Cc1nc2c(s1)CC(C(C)(C)C)CC2
InChIInChI=1S/C12H19NS.C2H6/c1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-2/h9H,5-7H2,1-4H3;1-2H3
InChIKeyUEURGPNXGRGDCT-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.63
Rot. Bonds

About 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane

6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane (PubChem CID 163248763) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane
PubChem CID163248763
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane
SMILESCC.Cc1nc2c(s1)CC(C(C)(C)C)CC2
InChIInChI=1S/C12H19NS.C2H6/c1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-2/h9H,5-7H2,1-4H3;1-2H3
InChIKeyUEURGPNXGRGDCT-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 47003540
(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CID 124512009
2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 59167670
2-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)ethanamine
CID 82066944
N-ethyl-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 64754030
[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
CID 175514077
(6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 7148249
(2S,4S)-N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641524
1-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butan-2-amine
CID 62646070
N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chlorobenzamide
CID 40773721
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 165463449
2-(4-bromophenoxy)-N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 42280047

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane?
The IUPAC name of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane (CID 163248763) is 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane.
What is the SMILES notation for 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane?
The canonical SMILES for 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane is CC.Cc1nc2c(s1)CC(C(C)(C)C)CC2.
What is the InChIKey of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane?
The InChIKey is UEURGPNXGRGDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS.C2H6/c1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-2/h9H,5-7H2,1-4H3;1-2H3.
What are the key properties of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane?
6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane has a molecular weight of 239.43 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane is sourced from PubChem (CID 163248763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).