N-methyl-5-(methylamino)thiadiazole-4-carbothioamide

C5H8N4S2 — CID 15738897

IUPACN-methyl-5-(methylamino)thiadiazole-4-carbothioamide
SMILESCNC(=S)c1nnsc1NC
InChIInChI=1S/C5H8N4S2/c1-6-4(10)3-5(7-2)11-9-8-3/h7H,1-2H3,(H,6,10)
InChIKeyLAKWXPKDMOGBQI-UHFFFAOYSA-N
MW188.28 g/mol
LogP0.47
Rot. Bonds2

About N-methyl-5-(methylamino)thiadiazole-4-carbothioamide

N-methyl-5-(methylamino)thiadiazole-4-carbothioamide (PubChem CID 15738897) has the molecular formula C5H8N4S2 and a molecular weight of 188.28 g/mol. Its IUPAC name is N-methyl-5-(methylamino)thiadiazole-4-carbothioamide.

Molecular Properties

Compound NameN-methyl-5-(methylamino)thiadiazole-4-carbothioamide
PubChem CID15738897
Molecular FormulaC5H8N4S2
Molecular Weight188.28 g/mol
Exact Mass188.02
IUPAC NameN-methyl-5-(methylamino)thiadiazole-4-carbothioamide
SMILESCNC(=S)c1nnsc1NC
InChIInChI=1S/C5H8N4S2/c1-6-4(10)3-5(7-2)11-9-8-3/h7H,1-2H3,(H,6,10)
InChIKeyLAKWXPKDMOGBQI-UHFFFAOYSA-N
XLogP0.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 50.47
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-methyl-1,2,3-thiadiazole-4-carbothioamide
CID 2771457
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183486
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184386
N-methyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]thiadiazol-5-amine
CID 65530452
4-[[2,2-difluoroethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 116317380
5-Amino-N-methanethioyl-1,2,3-thiadiazole-4-carbothioamide
CID 3963471
5-(Methylamino)-1,2,3-thiadiazole-4-carbonitrile
CID 639114
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
4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 55046189

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylamino)thiadiazole-4-carbothioamide?
The IUPAC name of N-methyl-5-(methylamino)thiadiazole-4-carbothioamide (CID 15738897) is N-methyl-5-(methylamino)thiadiazole-4-carbothioamide.
What is the SMILES notation for N-methyl-5-(methylamino)thiadiazole-4-carbothioamide?
The canonical SMILES for N-methyl-5-(methylamino)thiadiazole-4-carbothioamide is CNC(=S)c1nnsc1NC.
What is the InChIKey of N-methyl-5-(methylamino)thiadiazole-4-carbothioamide?
The InChIKey is LAKWXPKDMOGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S2/c1-6-4(10)3-5(7-2)11-9-8-3/h7H,1-2H3,(H,6,10).
What are the key properties of N-methyl-5-(methylamino)thiadiazole-4-carbothioamide?
N-methyl-5-(methylamino)thiadiazole-4-carbothioamide has a molecular weight of 188.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylamino)thiadiazole-4-carbothioamide is sourced from PubChem (CID 15738897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).