1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea

C17H17N5O2S — CID 45222824

IUPAC1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea
SMILESCOCC(NC(=O)Nc1nnc(-c2ccccc2)s1)c1ccccn1
InChIInChI=1S/C17H17N5O2S/c1-24-11-14(13-9-5-6-10-18-13)19-16(23)20-17-22-21-15(25-17)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H2,19,20,22,23)
InChIKeyBOUMSLPSZMBHCA-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.11
Rot. Bonds6

About 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea

1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 45222824) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID45222824
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea
SMILESCOCC(NC(=O)Nc1nnc(-c2ccccc2)s1)c1ccccn1
InChIInChI=1S/C17H17N5O2S/c1-24-11-14(13-9-5-6-10-18-13)19-16(23)20-17-22-21-15(25-17)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H2,19,20,22,23)
InChIKeyBOUMSLPSZMBHCA-UHFFFAOYSA-N
XLogP3.11
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea (CID 45222824) is 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea is COCC(NC(=O)Nc1nnc(-c2ccccc2)s1)c1ccccn1.
What is the InChIKey of 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is BOUMSLPSZMBHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-11-14(13-9-5-6-10-18-13)19-16(23)20-17-22-21-15(25-17)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H2,19,20,22,23).
What are the key properties of 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea?
1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 355.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-1-pyridin-2-ylethyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 45222824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).