1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

C18H16N4OS — CID 39741179

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)ns1)NC1Cc2ccccc2C1
InChIInChI=1S/C18H16N4OS/c23-17(19-15-10-13-8-4-5-9-14(13)11-15)21-18-20-16(22-24-18)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,19,20,21,22,23)
InChIKeyIBZHFICRRHEQIC-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.49
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 39741179) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID39741179
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)ns1)NC1Cc2ccccc2C1
InChIInChI=1S/C18H16N4OS/c23-17(19-15-10-13-8-4-5-9-14(13)11-15)21-18-20-16(22-24-18)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,19,20,21,22,23)
InChIKeyIBZHFICRRHEQIC-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 48749990
Cyto4A7
CID 2810767
2-Indan-2-yl-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine
CID 509171
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97074426
N-(2,3-dihydro-1H-inden-2-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46987064
1-(3-Methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 47432927
N-(4-fluorobenzyl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 39781693
1-(3-Phenyl-1,2,4-thiadiazol-5-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 48764243
1-[1-(2,5-Difluorophenyl)ethyl]-1-methyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 48790272
1-[1-(4-Fluorophenyl)cyclobutyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 71884898
1-(2,2-Difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 91643698
1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 95163272

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 39741179) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is O=C(Nc1nc(-c2ccccc2)ns1)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is IBZHFICRRHEQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c23-17(19-15-10-13-8-4-5-9-14(13)11-15)21-18-20-16(22-24-18)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,19,20,21,22,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 336.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 39741179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).