5-(cyclohexylamino)thiadiazole-4-carboxamide

C9H14N4OS — CID 18467493

IUPAC5-(cyclohexylamino)thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1NC1CCCCC1
InChIInChI=1S/C9H14N4OS/c10-8(14)7-9(15-13-12-7)11-6-4-2-1-3-5-6/h6,11H,1-5H2,(H2,10,14)
InChIKeyZCPOYWHHBYYLGR-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.38
Rot. Bonds3

About 5-(cyclohexylamino)thiadiazole-4-carboxamide

5-(cyclohexylamino)thiadiazole-4-carboxamide (PubChem CID 18467493) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-(cyclohexylamino)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)thiadiazole-4-carboxamide
PubChem CID18467493
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name5-(cyclohexylamino)thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1NC1CCCCC1
InChIInChI=1S/C9H14N4OS/c10-8(14)7-9(15-13-12-7)11-6-4-2-1-3-5-6/h6,11H,1-5H2,(H2,10,14)
InChIKeyZCPOYWHHBYYLGR-UHFFFAOYSA-N
XLogP1.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)thiadiazole-4-carboxamide?
The IUPAC name of 5-(cyclohexylamino)thiadiazole-4-carboxamide (CID 18467493) is 5-(cyclohexylamino)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)thiadiazole-4-carboxamide is NC(=O)c1nnsc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)thiadiazole-4-carboxamide?
The InChIKey is ZCPOYWHHBYYLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c10-8(14)7-9(15-13-12-7)11-6-4-2-1-3-5-6/h6,11H,1-5H2,(H2,10,14).
What are the key properties of 5-(cyclohexylamino)thiadiazole-4-carboxamide?
5-(cyclohexylamino)thiadiazole-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)thiadiazole-4-carboxamide is sourced from PubChem (CID 18467493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).