2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one

C13H9NOS — CID 3035400

IUPAC2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one
SMILESO=C1C(c2ccccc2)=S=C2C=CC=CN12
InChIInChI=1S/C13H9NOS/c15-13-12(10-6-2-1-3-7-10)16-11-8-4-5-9-14(11)13/h1-9H
InChIKeyQATLDNWNHCIBKT-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.00
Rot. Bonds1

About 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one

2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one (PubChem CID 3035400) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one.

Molecular Properties

Compound Name2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one
PubChem CID3035400
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one
SMILESO=C1C(c2ccccc2)=S=C2C=CC=CN12
InChIInChI=1S/C13H9NOS/c15-13-12(10-6-2-1-3-7-10)16-11-8-4-5-9-14(11)13/h1-9H
InChIKeyQATLDNWNHCIBKT-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 854973
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CID 772307
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CID 854971
CID 854971
CID 12515322
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CID 44291301
CID 44291301
CID 44291700
CID 44291700
CID 8219232
CID 8219232
CID 3599105
CID 3599105
CID 10631437
CID 10631437
CID 4608949
CID 4608949
CID 25249097
CID 25249097
CID 141678
CID 141678

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one?
The IUPAC name of 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one (CID 3035400) is 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one.
What is the SMILES notation for 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one?
The canonical SMILES for 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one is O=C1C(c2ccccc2)=S=C2C=CC=CN12.
What is the InChIKey of 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one?
The InChIKey is QATLDNWNHCIBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-13-12(10-6-2-1-3-7-10)16-11-8-4-5-9-14(11)13/h1-9H.
What are the key properties of 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one?
2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one has a molecular weight of 227.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one is sourced from PubChem (CID 3035400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).