1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea

C16H16N6OS — CID 71855313

IUPAC1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nncs1)NC1c2ccccc2CCC1n1ccnc1
InChIInChI=1S/C16H16N6OS/c23-15(20-16-21-18-10-24-16)19-14-12-4-2-1-3-11(12)5-6-13(14)22-8-7-17-9-22/h1-4,7-10,13-14H,5-6H2,(H2,19,20,21,23)
InChIKeyORHSTAUAEYBTEH-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.78
Rot. Bonds3

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

1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 71855313) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID71855313
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nncs1)NC1c2ccccc2CCC1n1ccnc1
InChIInChI=1S/C16H16N6OS/c23-15(20-16-21-18-10-24-16)19-14-12-4-2-1-3-11(12)5-6-13(14)22-8-7-17-9-22/h1-4,7-10,13-14H,5-6H2,(H2,19,20,21,23)
InChIKeyORHSTAUAEYBTEH-UHFFFAOYSA-N
XLogP2.78
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 71855313) is 1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea is O=C(Nc1nncs1)NC1c2ccccc2CCC1n1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is ORHSTAUAEYBTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-15(20-16-21-18-10-24-16)19-14-12-4-2-1-3-11(12)5-6-13(14)22-8-7-17-9-22/h1-4,7-10,13-14H,5-6H2,(H2,19,20,21,23).
What are the key properties of 1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 340.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 71855313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).