4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile

C11H10N4O2S — CID 108776483

IUPAC4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile
SMILESCC(=O)c1c(C)oc(Nc2nnc(C)s2)c1C#N
InChIInChI=1S/C11H10N4O2S/c1-5(16)9-6(2)17-10(8(9)4-12)13-11-15-14-7(3)18-11/h1-3H3,(H,13,15)
InChIKeyNBIWZRVQPWQRGW-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.57
Rot. Bonds3

About 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile

4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile (PubChem CID 108776483) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile.

Molecular Properties

Compound Name4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile
PubChem CID108776483
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile
SMILESCC(=O)c1c(C)oc(Nc2nnc(C)s2)c1C#N
InChIInChI=1S/C11H10N4O2S/c1-5(16)9-6(2)17-10(8(9)4-12)13-11-15-14-7(3)18-11/h1-3H3,(H,13,15)
InChIKeyNBIWZRVQPWQRGW-UHFFFAOYSA-N
XLogP2.57
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile?
The IUPAC name of 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile (CID 108776483) is 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile.
What is the SMILES notation for 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile?
The canonical SMILES for 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile is CC(=O)c1c(C)oc(Nc2nnc(C)s2)c1C#N.
What is the InChIKey of 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile?
The InChIKey is NBIWZRVQPWQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-5(16)9-6(2)17-10(8(9)4-12)13-11-15-14-7(3)18-11/h1-3H3,(H,13,15).
What are the key properties of 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile?
4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile has a molecular weight of 262.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile is sourced from PubChem (CID 108776483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).