2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

C13H12N2O2S — CID 141143516

IUPAC2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOc1ccc(-c2nc3c(s2)C(=O)NCC3)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-9-4-2-8(3-5-9)13-15-10-6-7-14-12(16)11(10)18-13/h2-5H,6-7H2,1H3,(H,14,16)
InChIKeyCUVAJJKSRIGPLA-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.10
Rot. Bonds2

About 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 141143516) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID141143516
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOc1ccc(-c2nc3c(s2)C(=O)NCC3)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-9-4-2-8(3-5-9)13-15-10-6-7-14-12(16)11(10)18-13/h2-5H,6-7H2,1H3,(H,14,16)
InChIKeyCUVAJJKSRIGPLA-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 89027456
2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62089370
2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475252
5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one
CID 23278428
2-(4-tert-butylphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62078591
2-(4-methoxyphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975135
2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548663
2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine
CID 10357935
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134924
2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 103348286
2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
CID 776318

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 141143516) is 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is COc1ccc(-c2nc3c(s2)C(=O)NCC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is CUVAJJKSRIGPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-17-9-4-2-8(3-5-9)13-15-10-6-7-14-12(16)11(10)18-13/h2-5H,6-7H2,1H3,(H,14,16).
What are the key properties of 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 260.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 141143516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).