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

C11H18N4OS — CID 46989220

IUPAC1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCCC1(CNC(=O)Nc2nc(C)ns2)CCC1
InChIInChI=1S/C11H18N4OS/c1-3-11(5-4-6-11)7-12-9(16)14-10-13-8(2)15-17-10/h3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyZBNZIGJHLULABQ-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.55
Rot. Bonds4

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

1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 46989220) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID46989220
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCCC1(CNC(=O)Nc2nc(C)ns2)CCC1
InChIInChI=1S/C11H18N4OS/c1-3-11(5-4-6-11)7-12-9(16)14-10-13-8(2)15-17-10/h3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyZBNZIGJHLULABQ-UHFFFAOYSA-N
XLogP2.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (CID 46989220) is 1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is CCC1(CNC(=O)Nc2nc(C)ns2)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is ZBNZIGJHLULABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-11(5-4-6-11)7-12-9(16)14-10-13-8(2)15-17-10/h3-7H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 254.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 46989220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).