1-methyl-3-(1,2,5-thiadiazol-3-yl)urea

C4H6N4OS — CID 5164106

IUPAC1-methyl-3-(1,2,5-thiadiazol-3-yl)urea
SMILESCNC(=O)Nc1cnsn1
InChIInChI=1S/C4H6N4OS/c1-5-4(9)7-3-2-6-10-8-3/h2H,1H3,(H2,5,7,8,9)
InChIKeyPUMBMSSHODUYQZ-UHFFFAOYSA-N
MW158.19 g/mol
LogP0.29
Rot. Bonds1

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

1-methyl-3-(1,2,5-thiadiazol-3-yl)urea (PubChem CID 5164106) has the molecular formula C4H6N4OS and a molecular weight of 158.19 g/mol. Its IUPAC name is 1-methyl-3-(1,2,5-thiadiazol-3-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(1,2,5-thiadiazol-3-yl)urea
PubChem CID5164106
Molecular FormulaC4H6N4OS
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC Name1-methyl-3-(1,2,5-thiadiazol-3-yl)urea
SMILESCNC(=O)Nc1cnsn1
InChIInChI=1S/C4H6N4OS/c1-5-4(9)7-3-2-6-10-8-3/h2H,1H3,(H2,5,7,8,9)
InChIKeyPUMBMSSHODUYQZ-UHFFFAOYSA-N
XLogP0.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2,5-thiadiazol-3-yl)urea?
The IUPAC name of 1-methyl-3-(1,2,5-thiadiazol-3-yl)urea (CID 5164106) is 1-methyl-3-(1,2,5-thiadiazol-3-yl)urea.
What is the SMILES notation for 1-methyl-3-(1,2,5-thiadiazol-3-yl)urea?
The canonical SMILES for 1-methyl-3-(1,2,5-thiadiazol-3-yl)urea is CNC(=O)Nc1cnsn1.
What is the InChIKey of 1-methyl-3-(1,2,5-thiadiazol-3-yl)urea?
The InChIKey is PUMBMSSHODUYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4OS/c1-5-4(9)7-3-2-6-10-8-3/h2H,1H3,(H2,5,7,8,9).
What are the key properties of 1-methyl-3-(1,2,5-thiadiazol-3-yl)urea?
1-methyl-3-(1,2,5-thiadiazol-3-yl)urea has a molecular weight of 158.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2,5-thiadiazol-3-yl)urea is sourced from PubChem (CID 5164106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).