5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione

C5H7N5S4 — CID 158096921

IUPAC5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
SMILESCc1n[nH]c(=S)s1.Nc1n[nH]c(=S)s1
InChIInChI=1S/C3H4N2S2.C2H3N3S2/c1-2-4-5-3(6)7-2;3-1-4-5-2(6)7-1/h1H3,(H,5,6);(H2,3,4)(H,5,6)
InChIKeyFOTXCERPMACRDT-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.29
Rot. Bonds

About 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione

5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione (PubChem CID 158096921) has the molecular formula C5H7N5S4 and a molecular weight of 265.41 g/mol. Its IUPAC name is 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
PubChem CID158096921
Molecular FormulaC5H7N5S4
Molecular Weight265.41 g/mol
Exact Mass264.96
IUPAC Name5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
SMILESCc1n[nH]c(=S)s1.Nc1n[nH]c(=S)s1
InChIInChI=1S/C3H4N2S2.C2H3N3S2/c1-2-4-5-3(6)7-2;3-1-4-5-2(6)7-1/h1H3,(H,5,6);(H2,3,4)(H,5,6)
InChIKeyFOTXCERPMACRDT-UHFFFAOYSA-N
XLogP2.29
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

silver 5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 18620396
ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 145351223
bis(5-amino-3H-1,3,4-thiadiazole-2-thione);manganese;zinc
CID 175338258
5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 142209790
5-amino-3H-1,3,4-thiadiazole-2-thione;(2-methoxy-4-methylphenyl) acetate
CID 23191712
5-(1-aminoethyl)-3H-1,3,4-thiadiazole-2-thione
CID 20524616
ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 170572399
formyl acetate;5-methyl-2-sulfanylidene-1,3,4-thiadiazole-3-carbaldehyde;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 162147195
5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
CID 23007251
iron(2+);methane;bis(2-sulfanylidene-3H-1,3,4-thiadiazole-5-thiolate);1,3,4-thiadiazolidine-2,5-dithione;dihydrate
CID 160868019
N,N-dimethyl-7-oxo-7-(4-phenylphenyl)heptanamide;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 91292210
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 2735523

Frequently Asked Questions

What is the IUPAC name of 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione (CID 158096921) is 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione is Cc1n[nH]c(=S)s1.Nc1n[nH]c(=S)s1.
What is the InChIKey of 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is FOTXCERPMACRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S2.C2H3N3S2/c1-2-4-5-3(6)7-2;3-1-4-5-2(6)7-1/h1H3,(H,5,6);(H2,3,4)(H,5,6).
What are the key properties of 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione?
5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 265.41 g/mol, XLogP of 2.29, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 158096921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).