5-(cyclohexylamino)thiadiazole-4-carbonitrile

C9H12N4S — CID 1499146

IUPAC5-(cyclohexylamino)thiadiazole-4-carbonitrile
SMILESN#Cc1nnsc1NC1CCCCC1
InChIInChI=1S/C9H12N4S/c10-6-8-9(14-13-12-8)11-7-4-2-1-3-5-7/h7,11H,1-5H2
InChIKeyXGTQYDUTYIREDT-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.15
Rot. Bonds2

About 5-(cyclohexylamino)thiadiazole-4-carbonitrile

5-(cyclohexylamino)thiadiazole-4-carbonitrile (PubChem CID 1499146) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(cyclohexylamino)thiadiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(cyclohexylamino)thiadiazole-4-carbonitrile
PubChem CID1499146
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name5-(cyclohexylamino)thiadiazole-4-carbonitrile
SMILESN#Cc1nnsc1NC1CCCCC1
InChIInChI=1S/C9H12N4S/c10-6-8-9(14-13-12-8)11-7-4-2-1-3-5-7/h7,11H,1-5H2
InChIKeyXGTQYDUTYIREDT-UHFFFAOYSA-N
XLogP2.15
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)thiadiazole-4-carbonitrile?
The IUPAC name of 5-(cyclohexylamino)thiadiazole-4-carbonitrile (CID 1499146) is 5-(cyclohexylamino)thiadiazole-4-carbonitrile.
What is the SMILES notation for 5-(cyclohexylamino)thiadiazole-4-carbonitrile?
The canonical SMILES for 5-(cyclohexylamino)thiadiazole-4-carbonitrile is N#Cc1nnsc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)thiadiazole-4-carbonitrile?
The InChIKey is XGTQYDUTYIREDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c10-6-8-9(14-13-12-8)11-7-4-2-1-3-5-7/h7,11H,1-5H2.
What are the key properties of 5-(cyclohexylamino)thiadiazole-4-carbonitrile?
5-(cyclohexylamino)thiadiazole-4-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)thiadiazole-4-carbonitrile is sourced from PubChem (CID 1499146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).