5-(hexylamino)thiadiazole-4-carboxamide

C9H16N4OS — CID 18467502

IUPAC5-(hexylamino)thiadiazole-4-carboxamide
SMILESCCCCCCNc1snnc1C(N)=O
InChIInChI=1S/C9H16N4OS/c1-2-3-4-5-6-11-9-7(8(10)14)12-13-15-9/h11H,2-6H2,1H3,(H2,10,14)
InChIKeyHEBJAQSCKKOMTD-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.63
Rot. Bonds7

About 5-(hexylamino)thiadiazole-4-carboxamide

5-(hexylamino)thiadiazole-4-carboxamide (PubChem CID 18467502) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-(hexylamino)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(hexylamino)thiadiazole-4-carboxamide
PubChem CID18467502
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-(hexylamino)thiadiazole-4-carboxamide
SMILESCCCCCCNc1snnc1C(N)=O
InChIInChI=1S/C9H16N4OS/c1-2-3-4-5-6-11-9-7(8(10)14)12-13-15-9/h11H,2-6H2,1H3,(H2,10,14)
InChIKeyHEBJAQSCKKOMTD-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hexylamino)thiadiazole-4-carboxamide?
The IUPAC name of 5-(hexylamino)thiadiazole-4-carboxamide (CID 18467502) is 5-(hexylamino)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(hexylamino)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(hexylamino)thiadiazole-4-carboxamide is CCCCCCNc1snnc1C(N)=O.
What is the InChIKey of 5-(hexylamino)thiadiazole-4-carboxamide?
The InChIKey is HEBJAQSCKKOMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-2-3-4-5-6-11-9-7(8(10)14)12-13-15-9/h11H,2-6H2,1H3,(H2,10,14).
What are the key properties of 5-(hexylamino)thiadiazole-4-carboxamide?
5-(hexylamino)thiadiazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexylamino)thiadiazole-4-carboxamide is sourced from PubChem (CID 18467502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).