3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one

C9H8N2O2S — CID 135697428

IUPAC3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one
SMILESCOc1ccc(-c2nsc(=O)[nH]2)cc1
InChIInChI=1S/C9H8N2O2S/c1-13-7-4-2-6(3-5-7)8-10-9(12)14-11-8/h2-5H,1H3,(H,10,11,12)
InChIKeyQVHVAZQTCPFWKX-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.51
Rot. Bonds2

About 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one

3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one (PubChem CID 135697428) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one
PubChem CID135697428
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one
SMILESCOc1ccc(-c2nsc(=O)[nH]2)cc1
InChIInChI=1S/C9H8N2O2S/c1-13-7-4-2-6(3-5-7)8-10-9(12)14-11-8/h2-5H,1H3,(H,10,11,12)
InChIKeyQVHVAZQTCPFWKX-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 165345881
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CID 136593380
2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole
CID 123981198
2-(4-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 1116711
6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120081
10-(4-methoxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 11702125
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
CID 22412365
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
4-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135682232
2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole
CID 135671327
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CID 102206658
CID 102206658

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one?
The IUPAC name of 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one (CID 135697428) is 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one is COc1ccc(-c2nsc(=O)[nH]2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one?
The InChIKey is QVHVAZQTCPFWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-13-7-4-2-6(3-5-7)8-10-9(12)14-11-8/h2-5H,1H3,(H,10,11,12).
What are the key properties of 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one?
3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one has a molecular weight of 208.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one is sourced from PubChem (CID 135697428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).