2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C15H17NOS2 — CID 55032707

IUPAC2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCc1cc(-c2nc3c(s2)C(=O)CC(C)(C)C3)c(C)s1
InChIInChI=1S/C15H17NOS2/c1-8-5-10(9(2)18-8)14-16-11-6-15(3,4)7-12(17)13(11)19-14/h5H,6-7H2,1-4H3
InChIKeyDCJKAOLXKXOIAB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.64
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 55032707) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID55032707
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCc1cc(-c2nc3c(s2)C(=O)CC(C)(C)C3)c(C)s1
InChIInChI=1S/C15H17NOS2/c1-8-5-10(9(2)18-8)14-16-11-6-15(3,4)7-12(17)13(11)19-14/h5H,6-7H2,1-4H3
InChIKeyDCJKAOLXKXOIAB-UHFFFAOYSA-N
XLogP4.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 55032707) is 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is Cc1cc(-c2nc3c(s2)C(=O)CC(C)(C)C3)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is DCJKAOLXKXOIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-8-5-10(9(2)18-8)14-16-11-6-15(3,4)7-12(17)13(11)19-14/h5H,6-7H2,1-4H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 291.44 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 55032707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).