1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea

C13H22N4O2S — CID 94140840

IUPAC1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCN(C[C@H]1CCOC1)C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C13H22N4O2S/c1-4-17(7-10-5-6-19-8-10)13(18)14-12-16-15-11(20-12)9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16,18)/t10-/m1/s1
InChIKeyFGELCHVNOVIXJD-SNVBAGLBSA-N
MW298.41 g/mol
LogP2.55
Rot. Bonds5

About 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea

1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 94140840) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID94140840
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCN(C[C@H]1CCOC1)C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C13H22N4O2S/c1-4-17(7-10-5-6-19-8-10)13(18)14-12-16-15-11(20-12)9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16,18)/t10-/m1/s1
InChIKeyFGELCHVNOVIXJD-SNVBAGLBSA-N
XLogP2.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)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-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 94140840) is 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea is CCN(C[C@H]1CCOC1)C(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is FGELCHVNOVIXJD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-17(7-10-5-6-19-8-10)13(18)14-12-16-15-11(20-12)9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16,18)/t10-/m1/s1.
What are the key properties of 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 298.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 94140840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).