1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea

C18H20N4O2S — CID 118785518

IUPAC1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea
SMILESCc1nnc(CCNC(=O)Nc2cccc3c4c(oc23)CCCC4)s1
InChIInChI=1S/C18H20N4O2S/c1-11-21-22-16(25-11)9-10-19-18(23)20-14-7-4-6-13-12-5-2-3-8-15(12)24-17(13)14/h4,6-7H,2-3,5,8-10H2,1H3,(H2,19,20,23)
InChIKeyDAKZLFSMDQXTJZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.84
Rot. Bonds4

About 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea

1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea (PubChem CID 118785518) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea
PubChem CID118785518
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea
SMILESCc1nnc(CCNC(=O)Nc2cccc3c4c(oc23)CCCC4)s1
InChIInChI=1S/C18H20N4O2S/c1-11-21-22-16(25-11)9-10-19-18(23)20-14-7-4-6-13-12-5-2-3-8-15(12)24-17(13)14/h4,6-7H,2-3,5,8-10H2,1H3,(H2,19,20,23)
InChIKeyDAKZLFSMDQXTJZ-UHFFFAOYSA-N
XLogP3.84
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-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-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea?
The IUPAC name of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea (CID 118785518) is 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea.
What is the SMILES notation for 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea?
The canonical SMILES for 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea is Cc1nnc(CCNC(=O)Nc2cccc3c4c(oc23)CCCC4)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea?
The InChIKey is DAKZLFSMDQXTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-21-22-16(25-11)9-10-19-18(23)20-14-7-4-6-13-12-5-2-3-8-15(12)24-17(13)14/h4,6-7H,2-3,5,8-10H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea?
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea has a molecular weight of 356.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea is sourced from PubChem (CID 118785518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).