6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide

C18H14N4OS2 — CID 69041615

IUPAC6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide
SMILESCC1(C(=O)Nc2nncs2)Cc2ccc(C#N)cc2C1c1cccs1
InChIInChI=1S/C18H14N4OS2/c1-18(16(23)21-17-22-20-10-25-17)8-12-5-4-11(9-19)7-13(12)15(18)14-3-2-6-24-14/h2-7,10,15H,8H2,1H3,(H,21,22,23)
InChIKeyHIFOAULXAUEAFD-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.80
Rot. Bonds3

About 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide

6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide (PubChem CID 69041615) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide
PubChem CID69041615
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC Name6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide
SMILESCC1(C(=O)Nc2nncs2)Cc2ccc(C#N)cc2C1c1cccs1
InChIInChI=1S/C18H14N4OS2/c1-18(16(23)21-17-22-20-10-25-17)8-12-5-4-11(9-19)7-13(12)15(18)14-3-2-6-24-14/h2-7,10,15H,8H2,1H3,(H,21,22,23)
InChIKeyHIFOAULXAUEAFD-UHFFFAOYSA-N
XLogP3.80
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide (CID 69041615) is 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide is CC1(C(=O)Nc2nncs2)Cc2ccc(C#N)cc2C1c1cccs1.
What is the InChIKey of 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide?
The InChIKey is HIFOAULXAUEAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-18(16(23)21-17-22-20-10-25-17)8-12-5-4-11(9-19)7-13(12)15(18)14-3-2-6-24-14/h2-7,10,15H,8H2,1H3,(H,21,22,23).
What are the key properties of 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide?
6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 69041615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).