1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea

C16H16N4OS2 — CID 48801510

IUPAC1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(Cc1ccsc1)NC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H16N4OS2/c1-11(9-12-7-8-22-10-12)17-15(21)19-16-18-14(20-23-16)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H2,17,18,19,20,21)
InChIKeyJNPODUKBWDWGFS-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.02
Rot. Bonds5

About 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea

1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea (PubChem CID 48801510) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
PubChem CID48801510
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(Cc1ccsc1)NC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H16N4OS2/c1-11(9-12-7-8-22-10-12)17-15(21)19-16-18-14(20-23-16)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H2,17,18,19,20,21)
InChIKeyJNPODUKBWDWGFS-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
The IUPAC name of 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea (CID 48801510) is 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
The canonical SMILES for 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea is CC(Cc1ccsc1)NC(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
The InChIKey is JNPODUKBWDWGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-11(9-12-7-8-22-10-12)17-15(21)19-16-18-14(20-23-16)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea has a molecular weight of 344.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea is sourced from PubChem (CID 48801510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).