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

C14H14N2OS — CID 82741413

IUPAC2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCc1cccnc1-c1nc2c(s1)CCCC2=O
InChIInChI=1S/C14H14N2OS/c1-2-9-5-4-8-15-12(9)14-16-13-10(17)6-3-7-11(13)18-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyFROVIGGAKJFEOM-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.29
Rot. Bonds2

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

2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 82741413) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID82741413
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCc1cccnc1-c1nc2c(s1)CCCC2=O
InChIInChI=1S/C14H14N2OS/c1-2-9-5-4-8-15-12(9)14-16-13-10(17)6-3-7-11(13)18-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyFROVIGGAKJFEOM-UHFFFAOYSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975749
2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975759
2-(2,6-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975763
2-(2,3-dimethylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975851
2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975731
2-(5-methylfuran-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975790
2-(3-chloro-4-methylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 106818171
N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 82740930
N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364114
2-(3-ethyl-2-pyridinyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 82741018
2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975723
2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-amine
CID 83107286

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 82741413) is 2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is CCc1cccnc1-c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is FROVIGGAKJFEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-9-5-4-8-15-12(9)14-16-13-10(17)6-3-7-11(13)18-14/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 258.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 82741413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).