5-(cyclohexylamino)thiadiazole-4-carbothioamide

C9H14N4S2 — CID 14146092

IUPAC5-(cyclohexylamino)thiadiazole-4-carbothioamide
SMILESNC(=S)c1nnsc1NC1CCCCC1
InChIInChI=1S/C9H14N4S2/c10-8(14)7-9(15-13-12-7)11-6-4-2-1-3-5-6/h6,11H,1-5H2,(H2,10,14)
InChIKeyUCYAXFGDCLBOAE-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.92
Rot. Bonds3

About 5-(cyclohexylamino)thiadiazole-4-carbothioamide

5-(cyclohexylamino)thiadiazole-4-carbothioamide (PubChem CID 14146092) has the molecular formula C9H14N4S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-(cyclohexylamino)thiadiazole-4-carbothioamide.

Molecular Properties

Compound Name5-(cyclohexylamino)thiadiazole-4-carbothioamide
PubChem CID14146092
Molecular FormulaC9H14N4S2
Molecular Weight242.37 g/mol
Exact Mass242.07
IUPAC Name5-(cyclohexylamino)thiadiazole-4-carbothioamide
SMILESNC(=S)c1nnsc1NC1CCCCC1
InChIInChI=1S/C9H14N4S2/c10-8(14)7-9(15-13-12-7)11-6-4-2-1-3-5-6/h6,11H,1-5H2,(H2,10,14)
InChIKeyUCYAXFGDCLBOAE-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Ethylamino)thiadiazole-4-carbothioamide
CID 14979647
N-methyl-5-(propan-2-ylamino)thiadiazole-4-carbothioamide
CID 1498996
5-(Cyclohexylamino)thiadiazole-4-carbonitrile
CID 1499146
5-(Butylamino)thiadiazole-4-carbothioamide
CID 14146091
4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046074
N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
CID 55046091
4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 55046189
4-[(2-ethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55046211
4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046284
4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine
CID 55046305
4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 55046314
4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046320

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)thiadiazole-4-carbothioamide?
The IUPAC name of 5-(cyclohexylamino)thiadiazole-4-carbothioamide (CID 14146092) is 5-(cyclohexylamino)thiadiazole-4-carbothioamide.
What is the SMILES notation for 5-(cyclohexylamino)thiadiazole-4-carbothioamide?
The canonical SMILES for 5-(cyclohexylamino)thiadiazole-4-carbothioamide is NC(=S)c1nnsc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)thiadiazole-4-carbothioamide?
The InChIKey is UCYAXFGDCLBOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S2/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-carbothioamide?
5-(cyclohexylamino)thiadiazole-4-carbothioamide has a molecular weight of 242.37 g/mol, XLogP of 1.92, 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-carbothioamide is sourced from PubChem (CID 14146092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).