(5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid

C4H5N3OS2 — CID 87125746

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid
SMILESCc1nnc(NC(=S)S)o1
InChIInChI=1S/C4H5N3OS2/c1-2-6-7-3(8-2)5-4(9)10/h1H3,(H2,5,7,9,10)
InChIKeyWQZNSYAUECVGPO-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.00
Rot. Bonds1

About (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid

(5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid (PubChem CID 87125746) has the molecular formula C4H5N3OS2 and a molecular weight of 175.24 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid
PubChem CID87125746
Molecular FormulaC4H5N3OS2
Molecular Weight175.24 g/mol
Exact Mass174.99
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid
SMILESCc1nnc(NC(=S)S)o1
InChIInChI=1S/C4H5N3OS2/c1-2-6-7-3(8-2)5-4(9)10/h1H3,(H2,5,7,9,10)
InChIKeyWQZNSYAUECVGPO-UHFFFAOYSA-N
XLogP1.00
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]acetamide
CID 175502684
2-amino-2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)butanamide
CID 21154901
N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
CID 88975148
1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea
CID 116658027
2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107689655
3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107980577
phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate
CID 86657865
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
CID 114089801
2-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 106312742
(2R)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxamide
CID 104914813
4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 102852138
N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]acetamide
CID 130618917

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid (CID 87125746) is (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid is Cc1nnc(NC(=S)S)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid?
The InChIKey is WQZNSYAUECVGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS2/c1-2-6-7-3(8-2)5-4(9)10/h1H3,(H2,5,7,9,10).
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid?
(5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid has a molecular weight of 175.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)carbamodithioic acid is sourced from PubChem (CID 87125746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).