2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

C15H14N2OS — CID 5271651

IUPAC2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1CCCc1ccccc1
InChIInChI=1S/C15H14N2OS/c18-15-13-9-4-10-16-14(13)19-17(15)11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2
InChIKeyMEVPHJTWSCAKMK-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.09
Rot. Bonds4

About 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 5271651) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID5271651
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1CCCc1ccccc1
InChIInChI=1S/C15H14N2OS/c18-15-13-9-4-10-16-14(13)19-17(15)11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2
InChIKeyMEVPHJTWSCAKMK-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271647
3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine
CID 70903217
4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
CID 51102980
6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 725323
1-(3-phenylpropyl)quinazolin-2-one
CID 70405856
2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 147327859
3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine
CID 102306107
2-[3-[2-(4-ethoxycyclohepta-1,3,5-trien-1-yl)ethylamino]-2-oxopropyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 134187214
2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid
CID 134145192
3-(3-oxo-1,2-benzothiazol-2-yl)propane-1-sulfonic acid
CID 175808248
1-(2-phenylethyl)-1,5-naphthyridin-2-one
CID 139602376
4-amino-3-(2-phenylethyl)quinazolin-2-one
CID 122714244

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 5271651) is 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is O=c1c2cccnc2sn1CCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is MEVPHJTWSCAKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15-13-9-4-10-16-14(13)19-17(15)11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2.
What are the key properties of 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 270.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 5271651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).