1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea

C6H10N4OS2 — CID 130612887

IUPAC1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea
SMILESCNC(=O)NCc1nnc(SC)s1
InChIInChI=1S/C6H10N4OS2/c1-7-5(11)8-3-4-9-10-6(12-2)13-4/h3H2,1-2H3,(H2,7,8,11)
InChIKeyMYJWQSBIKZNATC-UHFFFAOYSA-N
MW218.31 g/mol
LogP0.69
Rot. Bonds3

About 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea

1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea (PubChem CID 130612887) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea
PubChem CID130612887
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC Name1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea
SMILESCNC(=O)NCc1nnc(SC)s1
InChIInChI=1S/C6H10N4OS2/c1-7-5(11)8-3-4-9-10-6(12-2)13-4/h3H2,1-2H3,(H2,7,8,11)
InChIKeyMYJWQSBIKZNATC-UHFFFAOYSA-N
XLogP0.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea (CID 130612887) is 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea is CNC(=O)NCc1nnc(SC)s1.
What is the InChIKey of 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea?
The InChIKey is MYJWQSBIKZNATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c1-7-5(11)8-3-4-9-10-6(12-2)13-4/h3H2,1-2H3,(H2,7,8,11).
What are the key properties of 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea?
1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea has a molecular weight of 218.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]urea is sourced from PubChem (CID 130612887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).