1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea

C14H22N4O2S — CID 128738368

IUPAC1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCOC1CC(N(C)C(=O)NC(C)c2csnn2)C12CCC2
InChIInChI=1S/C14H22N4O2S/c1-9(10-8-21-17-16-10)15-13(19)18(2)11-7-12(20-3)14(11)5-4-6-14/h8-9,11-12H,4-7H2,1-3H3,(H,15,19)
InChIKeySWCAXGGFWJEXJF-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.20
Rot. Bonds4

About 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea

1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea (PubChem CID 128738368) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea
PubChem CID128738368
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCOC1CC(N(C)C(=O)NC(C)c2csnn2)C12CCC2
InChIInChI=1S/C14H22N4O2S/c1-9(10-8-21-17-16-10)15-13(19)18(2)11-7-12(20-3)14(11)5-4-6-14/h8-9,11-12H,4-7H2,1-3H3,(H,15,19)
InChIKeySWCAXGGFWJEXJF-UHFFFAOYSA-N
XLogP2.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea (CID 128738368) is 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea is COC1CC(N(C)C(=O)NC(C)c2csnn2)C12CCC2.
What is the InChIKey of 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea?
The InChIKey is SWCAXGGFWJEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9(10-8-21-17-16-10)15-13(19)18(2)11-7-12(20-3)14(11)5-4-6-14/h8-9,11-12H,4-7H2,1-3H3,(H,15,19).
What are the key properties of 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea?
1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea has a molecular weight of 310.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyspiro[3.3]heptan-1-yl)-1-methyl-3-[1-(thiadiazol-4-yl)ethyl]urea is sourced from PubChem (CID 128738368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).