2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole

C9H10N4O3S2 — CID 25154732

IUPAC2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(NS(N)(=O)=O)s2)cc1
InChIInChI=1S/C9H10N4O3S2/c1-16-7-4-2-6(3-5-7)8-11-12-9(17-8)13-18(10,14)15/h2-5H,1H3,(H,12,13)(H2,10,14,15)
InChIKeyQSHUVOXSBUMLSD-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.83
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole

2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole (PubChem CID 25154732) has the molecular formula C9H10N4O3S2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole
PubChem CID25154732
Molecular FormulaC9H10N4O3S2
Molecular Weight286.34 g/mol
Exact Mass286.02
IUPAC Name2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(NS(N)(=O)=O)s2)cc1
InChIInChI=1S/C9H10N4O3S2/c1-16-7-4-2-6(3-5-7)8-11-12-9(17-8)13-18(10,14)15/h2-5H,1H3,(H,12,13)(H2,10,14,15)
InChIKeyQSHUVOXSBUMLSD-UHFFFAOYSA-N
XLogP0.83
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole (CID 25154732) is 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole is COc1ccc(-c2nnc(NS(N)(=O)=O)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole?
The InChIKey is QSHUVOXSBUMLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S2/c1-16-7-4-2-6(3-5-7)8-11-12-9(17-8)13-18(10,14)15/h2-5H,1H3,(H,12,13)(H2,10,14,15).
What are the key properties of 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole?
2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole has a molecular weight of 286.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(sulfamoylamino)-1,3,4-thiadiazole is sourced from PubChem (CID 25154732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).