5-amino-N-methylthiadiazole-4-carbothioamide

C4H6N4S2 — CID 2771457

IUPAC5-amino-N-methylthiadiazole-4-carbothioamide
SMILESCNC(=S)c1nnsc1N
InChIInChI=1S/C4H6N4S2/c1-6-4(9)2-3(5)10-8-7-2/h5H2,1H3,(H,6,9)
InChIKeyFPJCBCUQMUQUDU-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.02
Rot. Bonds1

About 5-amino-N-methylthiadiazole-4-carbothioamide

5-amino-N-methylthiadiazole-4-carbothioamide (PubChem CID 2771457) has the molecular formula C4H6N4S2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-amino-N-methylthiadiazole-4-carbothioamide.

Molecular Properties

Compound Name5-amino-N-methylthiadiazole-4-carbothioamide
PubChem CID2771457
Molecular FormulaC4H6N4S2
Molecular Weight174.25 g/mol
Exact Mass174.00
IUPAC Name5-amino-N-methylthiadiazole-4-carbothioamide
SMILESCNC(=S)c1nnsc1N
InChIInChI=1S/C4H6N4S2/c1-6-4(9)2-3(5)10-8-7-2/h5H2,1H3,(H,6,9)
InChIKeyFPJCBCUQMUQUDU-UHFFFAOYSA-N
XLogP0.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.02
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-Amino-N-methanethioyl-1,2,3-thiadiazole-4-carbothioamide
CID 3963471
5-(Ethylamino)thiadiazole-4-carbothioamide
CID 14979647
N-methyl-5-(propan-2-ylamino)thiadiazole-4-carbothioamide
CID 1498996
5-(Butylamino)thiadiazole-4-carbothioamide
CID 14146091
N-methyl-5-(methylamino)thiadiazole-4-carbothioamide
CID 15738897
4-(Diethylaminomethyl)thiadiazol-5-amine
CID 62178597
4-[[Methyl(propyl)amino]methyl]thiadiazol-5-amine
CID 62182032
4-[(Dimethylamino)methyl]thiadiazol-5-amine
CID 62183040
4-[[Ethyl(methyl)amino]methyl]thiadiazol-5-amine
CID 62183424
4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine
CID 62183924
4-[(dimethylamino)methyl]-N-ethylthiadiazol-5-amine
CID 62183925
4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184482

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methylthiadiazole-4-carbothioamide?
The IUPAC name of 5-amino-N-methylthiadiazole-4-carbothioamide (CID 2771457) is 5-amino-N-methylthiadiazole-4-carbothioamide.
What is the SMILES notation for 5-amino-N-methylthiadiazole-4-carbothioamide?
The canonical SMILES for 5-amino-N-methylthiadiazole-4-carbothioamide is CNC(=S)c1nnsc1N.
What is the InChIKey of 5-amino-N-methylthiadiazole-4-carbothioamide?
The InChIKey is FPJCBCUQMUQUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4S2/c1-6-4(9)2-3(5)10-8-7-2/h5H2,1H3,(H,6,9).
What are the key properties of 5-amino-N-methylthiadiazole-4-carbothioamide?
5-amino-N-methylthiadiazole-4-carbothioamide has a molecular weight of 174.25 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methylthiadiazole-4-carbothioamide is sourced from PubChem (CID 2771457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).