5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide

C9H14N4O2S3 — CID 115383809

IUPAC5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide
SMILESCSc1nnc(SCC2CCC(C(=O)NN)O2)s1
InChIInChI=1S/C9H14N4O2S3/c1-16-8-12-13-9(18-8)17-4-5-2-3-6(15-5)7(14)11-10/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyCHVMHPWGJHEDBZ-UHFFFAOYSA-N
MW306.44 g/mol
LogP0.89
Rot. Bonds5

About 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide

5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide (PubChem CID 115383809) has the molecular formula C9H14N4O2S3 and a molecular weight of 306.44 g/mol. Its IUPAC name is 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide
PubChem CID115383809
Molecular FormulaC9H14N4O2S3
Molecular Weight306.44 g/mol
Exact Mass306.03
IUPAC Name5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide
SMILESCSc1nnc(SCC2CCC(C(=O)NN)O2)s1
InChIInChI=1S/C9H14N4O2S3/c1-16-8-12-13-9(18-8)17-4-5-2-3-6(15-5)7(14)11-10/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyCHVMHPWGJHEDBZ-UHFFFAOYSA-N
XLogP0.89
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide (CID 115383809) is 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide is CSc1nnc(SCC2CCC(C(=O)NN)O2)s1.
What is the InChIKey of 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide?
The InChIKey is CHVMHPWGJHEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S3/c1-16-8-12-13-9(18-8)17-4-5-2-3-6(15-5)7(14)11-10/h5-6H,2-4,10H2,1H3,(H,11,14).
What are the key properties of 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide?
5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide has a molecular weight of 306.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 115383809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).