1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea

C10H10N4O2S — CID 35523889

IUPAC1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nncs2)cc1
InChIInChI=1S/C10H10N4O2S/c1-16-8-4-2-7(3-5-8)12-9(15)13-10-14-11-6-17-10/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyWRRMEHJVEKNTQJ-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea

1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 35523889) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID35523889
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nncs2)cc1
InChIInChI=1S/C10H10N4O2S/c1-16-8-4-2-7(3-5-8)12-9(15)13-10-14-11-6-17-10/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyWRRMEHJVEKNTQJ-UHFFFAOYSA-N
XLogP2.19
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 35523889) is 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea is COc1ccc(NC(=O)Nc2nncs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is WRRMEHJVEKNTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-16-8-4-2-7(3-5-8)12-9(15)13-10-14-11-6-17-10/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 250.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 35523889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).