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

C16H17NOS — CID 95474560

IUPAC2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
SMILESCC(C)c1ccc(-c2nc3c(s2)CC(=O)CC3)cc1
InChIInChI=1S/C16H17NOS/c1-10(2)11-3-5-12(6-4-11)16-17-14-8-7-13(18)9-15(14)19-16/h3-6,10H,7-9H2,1-2H3
InChIKeyGCNZYYGKQWYGJV-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.99
Rot. Bonds2

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

2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one (PubChem CID 95474560) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
PubChem CID95474560
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
SMILESCC(C)c1ccc(-c2nc3c(s2)CC(=O)CC3)cc1
InChIInChI=1S/C16H17NOS/c1-10(2)11-3-5-12(6-4-11)16-17-14-8-7-13(18)9-15(14)19-16/h3-6,10H,7-9H2,1-2H3
InChIKeyGCNZYYGKQWYGJV-UHFFFAOYSA-N
XLogP3.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one
CID 82288857
2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975721
2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 17325445
4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline
CID 43667854
[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine
CID 116887760
3-(4-propan-2-ylphenyl)-2H-pyrrole
CID 158970490
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098344
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62548084
2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 14531647
N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The IUPAC name of 2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one (CID 95474560) is 2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one is CC(C)c1ccc(-c2nc3c(s2)CC(=O)CC3)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The InChIKey is GCNZYYGKQWYGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-10(2)11-3-5-12(6-4-11)16-17-14-8-7-13(18)9-15(14)19-16/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one?
2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one has a molecular weight of 271.38 g/mol, XLogP of 3.99, 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)-5,7-dihydro-4H-1,3-benzothiazol-6-one is sourced from PubChem (CID 95474560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).