3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one

C17H14N4OS2 — CID 23775260

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one
SMILESNc1nnc(SCCC(=O)n2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C17H14N4OS2/c18-16-19-20-17(24-16)23-10-9-15(22)21-13-7-3-1-5-11(13)12-6-2-4-8-14(12)21/h1-8H,9-10H2,(H2,18,19)
InChIKeyDFPJADLUTJUJPO-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.05
Rot. Bonds4

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one (PubChem CID 23775260) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one
PubChem CID23775260
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one
SMILESNc1nnc(SCCC(=O)n2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C17H14N4OS2/c18-16-19-20-17(24-16)23-10-9-15(22)21-13-7-3-1-5-11(13)12-6-2-4-8-14(12)21/h1-8H,9-10H2,(H2,18,19)
InChIKeyDFPJADLUTJUJPO-UHFFFAOYSA-N
XLogP4.05
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one (CID 23775260) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one is Nc1nnc(SCCC(=O)n2c3ccccc3c3ccccc32)s1.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one?
The InChIKey is DFPJADLUTJUJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c18-16-19-20-17(24-16)23-10-9-15(22)21-13-7-3-1-5-11(13)12-6-2-4-8-14(12)21/h1-8H,9-10H2,(H2,18,19).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one has a molecular weight of 354.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-carbazol-9-ylpropan-1-one is sourced from PubChem (CID 23775260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).