3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide

C10H12N4O2S2 — CID 63581971

IUPAC3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1nnc(SCc2cc(C)c(C(=O)NN)o2)s1
InChIInChI=1S/C10H12N4O2S2/c1-5-3-7(16-8(5)9(15)12-11)4-17-10-14-13-6(2)18-10/h3H,4,11H2,1-2H3,(H,12,15)
InChIKeyFDSYSRMYMYTAFF-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.64
Rot. Bonds4

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

3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63581971) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID63581971
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1nnc(SCc2cc(C)c(C(=O)NN)o2)s1
InChIInChI=1S/C10H12N4O2S2/c1-5-3-7(16-8(5)9(15)12-11)4-17-10-14-13-6(2)18-10/h3H,4,11H2,1-2H3,(H,12,15)
InChIKeyFDSYSRMYMYTAFF-UHFFFAOYSA-N
XLogP1.64
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814
5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
CID 61285924
5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63589938
3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
CID 63580250
5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 80746056
5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63591336
5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63581648
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide
CID 114234633
3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide
CID 107760942
methyl 3-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]propanoate
CID 63581586
methyl 5-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methylfuran-2-carboxylate
CID 34547898
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide
CID 63736656

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide (CID 63581971) is 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide is Cc1nnc(SCc2cc(C)c(C(=O)NN)o2)s1.
What is the InChIKey of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is FDSYSRMYMYTAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-5-3-7(16-8(5)9(15)12-11)4-17-10-14-13-6(2)18-10/h3H,4,11H2,1-2H3,(H,12,15).
What are the key properties of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 284.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63581971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).