(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea

C5H8N4O3S2 — CID 154165967

IUPAC(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCS(=O)(=O)c1nnc(NC(N)=O)s1
InChIInChI=1S/C5H8N4O3S2/c1-2-14(11,12)5-9-8-4(13-5)7-3(6)10/h2H2,1H3,(H3,6,7,8,10)
InChIKeyQTQYTMDDOVHRMU-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.18
Rot. Bonds3

About (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea

(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 154165967) has the molecular formula C5H8N4O3S2 and a molecular weight of 236.28 g/mol. Its IUPAC name is (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID154165967
Molecular FormulaC5H8N4O3S2
Molecular Weight236.28 g/mol
Exact Mass236.00
IUPAC Name(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCS(=O)(=O)c1nnc(NC(N)=O)s1
InChIInChI=1S/C5H8N4O3S2/c1-2-14(11,12)5-9-8-4(13-5)7-3(6)10/h2H2,1H3,(H3,6,7,8,10)
InChIKeyQTQYTMDDOVHRMU-UHFFFAOYSA-N
XLogP-0.18
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

Ethidimuron
CID 91596
3-(5-Ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
CID 4413079
5-(Ethylsulphonyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 11970600
1-(5-Ethylsulfonyl-1,3,4-thiadiazol-2-yl)-3-methylurea
CID 13650792
1-Amino-1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-3-methylurea
CID 20406525
1-Amino-3-methyl-1-(5-propan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)urea
CID 20406528
1,1-Dimethyl-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)urea
CID 153742085
1,1-Dimethyl-3-(5-propan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)urea
CID 153742095
1,1-Dimethyl-3-(5-propan-2-ylsulfinyl-1,3,4-thiadiazol-2-yl)urea
CID 153742097
1,1-Dimethyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)urea
CID 153742105
(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 12388787
2-[[5-(Methylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]acetamide
CID 48969555

Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea (CID 154165967) is (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea is CCS(=O)(=O)c1nnc(NC(N)=O)s1.
What is the InChIKey of (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is QTQYTMDDOVHRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3S2/c1-2-14(11,12)5-9-8-4(13-5)7-3(6)10/h2H2,1H3,(H3,6,7,8,10).
What are the key properties of (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea?
(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 236.28 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 154165967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).