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

C13H14N4OS — CID 46987064

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C13H14N4OS/c1-8-14-13(19-17-8)16-12(18)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyUSQVGSINKLUDIW-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.14
Rot. Bonds2

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

1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 46987064) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID46987064
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C13H14N4OS/c1-8-14-13(19-17-8)16-12(18)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyUSQVGSINKLUDIW-UHFFFAOYSA-N
XLogP2.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (CID 46987064) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is Cc1nsc(NC(=O)NC2Cc3ccccc3C2)n1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is USQVGSINKLUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8-14-13(19-17-8)16-12(18)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-7H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 274.35 g/mol, XLogP of 2.14, 2 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-methyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 46987064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).