2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C16H15NOS — CID 79979862

IUPAC2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(-c3ccc(C4CC4)cc3)nc21
InChIInChI=1S/C16H15NOS/c18-13-2-1-3-14-15(13)17-16(19-14)12-8-6-11(7-9-12)10-4-5-10/h6-10H,1-5H2
InChIKeyPAMGYVQHESGCGD-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.21
Rot. Bonds2

About 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 79979862) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID79979862
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(-c3ccc(C4CC4)cc3)nc21
InChIInChI=1S/C16H15NOS/c18-13-2-1-3-14-15(13)17-16(19-14)12-8-6-11(7-9-12)10-4-5-10/h6-10H,1-5H2
InChIKeyPAMGYVQHESGCGD-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 79979862) is 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is O=C1CCCc2sc(-c3ccc(C4CC4)cc3)nc21.
What is the InChIKey of 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is PAMGYVQHESGCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-13-2-1-3-14-15(13)17-16(19-14)12-8-6-11(7-9-12)10-4-5-10/h6-10H,1-5H2.
What are the key properties of 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 269.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 79979862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).