1-methyl-1-propyl-3-(thiadiazol-4-yl)urea

C7H12N4OS — CID 130635113

IUPAC1-methyl-1-propyl-3-(thiadiazol-4-yl)urea
SMILESCCCN(C)C(=O)Nc1csnn1
InChIInChI=1S/C7H12N4OS/c1-3-4-11(2)7(12)8-6-5-13-10-9-6/h5H,3-4H2,1-2H3,(H,8,12)
InChIKeyBLPLGZTUXUAORV-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.41
Rot. Bonds3

About 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea

1-methyl-1-propyl-3-(thiadiazol-4-yl)urea (PubChem CID 130635113) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea.

Molecular Properties

Compound Name1-methyl-1-propyl-3-(thiadiazol-4-yl)urea
PubChem CID130635113
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name1-methyl-1-propyl-3-(thiadiazol-4-yl)urea
SMILESCCCN(C)C(=O)Nc1csnn1
InChIInChI=1S/C7H12N4OS/c1-3-4-11(2)7(12)8-6-5-13-10-9-6/h5H,3-4H2,1-2H3,(H,8,12)
InChIKeyBLPLGZTUXUAORV-UHFFFAOYSA-N
XLogP1.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea?
The IUPAC name of 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea (CID 130635113) is 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea.
What is the SMILES notation for 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea?
The canonical SMILES for 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea is CCCN(C)C(=O)Nc1csnn1.
What is the InChIKey of 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea?
The InChIKey is BLPLGZTUXUAORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-3-4-11(2)7(12)8-6-5-13-10-9-6/h5H,3-4H2,1-2H3,(H,8,12).
What are the key properties of 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea?
1-methyl-1-propyl-3-(thiadiazol-4-yl)urea has a molecular weight of 200.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propyl-3-(thiadiazol-4-yl)urea is sourced from PubChem (CID 130635113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).