1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea

C13H14N4O2S — CID 72940437

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea
SMILESCc1nnsc1CNC(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C13H14N4O2S/c1-8-12(20-17-16-8)5-14-13(18)15-11-3-2-9-6-19-7-10(9)4-11/h2-4H,5-7H2,1H3,(H2,14,15,18)
InChIKeyZOCWLTZWOSESOA-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.20
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea

1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea (PubChem CID 72940437) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea
PubChem CID72940437
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea
SMILESCc1nnsc1CNC(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C13H14N4O2S/c1-8-12(20-17-16-8)5-14-13(18)15-11-3-2-9-6-19-7-10(9)4-11/h2-4H,5-7H2,1H3,(H2,14,15,18)
InChIKeyZOCWLTZWOSESOA-UHFFFAOYSA-N
XLogP2.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea (CID 72940437) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea is Cc1nnsc1CNC(=O)Nc1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea?
The InChIKey is ZOCWLTZWOSESOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8-12(20-17-16-8)5-14-13(18)15-11-3-2-9-6-19-7-10(9)4-11/h2-4H,5-7H2,1H3,(H2,14,15,18).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea has a molecular weight of 290.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea is sourced from PubChem (CID 72940437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).