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

C16H17NOS — CID 64975721

IUPAC2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC(C)c1ccc(-c2nc3c(s2)CCCC3=O)cc1
InChIInChI=1S/C16H17NOS/c1-10(2)11-6-8-12(9-7-11)16-17-15-13(18)4-3-5-14(15)19-16/h6-10H,3-5H2,1-2H3
InChIKeyOHENLRKRNQLGJN-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.45
Rot. Bonds2

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

2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64975721) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64975721
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC(C)c1ccc(-c2nc3c(s2)CCCC3=O)cc1
InChIInChI=1S/C16H17NOS/c1-10(2)11-6-8-12(9-7-11)16-17-15-13(18)4-3-5-14(15)19-16/h6-10H,3-5H2,1-2H3
InChIKeyOHENLRKRNQLGJN-UHFFFAOYSA-N
XLogP4.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975135
2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975731
2-(3-chloro-4-methylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 106818171
2-(4-cyclopropylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 79979862
2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
CID 95474560
2-(2,6-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975763
2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975813
2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975790
2-(2,3-dimethylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975851
2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 81143321
2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 82741413
2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 66118915

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64975721) is 2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is CC(C)c1ccc(-c2nc3c(s2)CCCC3=O)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is OHENLRKRNQLGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-10(2)11-6-8-12(9-7-11)16-17-15-13(18)4-3-5-14(15)19-16/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 271.39 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64975721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).