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

C10H13N5O2S2 — CID 63736656

IUPAC5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide
SMILESCN(C)c1nnc(SCc2cc(C(=O)NN)co2)s1
InChIInChI=1S/C10H13N5O2S2/c1-15(2)9-13-14-10(19-9)18-5-7-3-6(4-17-7)8(16)12-11/h3-4H,5,11H2,1-2H3,(H,12,16)
InChIKeyYFSFEZOCCZRDLA-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.09
Rot. Bonds5

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

5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63736656) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide
PubChem CID63736656
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC Name5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide
SMILESCN(C)c1nnc(SCc2cc(C(=O)NN)co2)s1
InChIInChI=1S/C10H13N5O2S2/c1-15(2)9-13-14-10(19-9)18-5-7-3-6(4-17-7)8(16)12-11/h3-4H,5,11H2,1-2H3,(H,12,16)
InChIKeyYFSFEZOCCZRDLA-UHFFFAOYSA-N
XLogP1.09
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.09
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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Related Compounds

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
CID 63736840
5-(1,3-benzothiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581701
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 55212906
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide
CID 63737003
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581833
5-[(2-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63589044
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580476
5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580433
5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580516
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid
CID 63739211
5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide
CID 63580672
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581971

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide (CID 63736656) is 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide is CN(C)c1nnc(SCc2cc(C(=O)NN)co2)s1.
What is the InChIKey of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is YFSFEZOCCZRDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c1-15(2)9-13-14-10(19-9)18-5-7-3-6(4-17-7)8(16)12-11/h3-4H,5,11H2,1-2H3,(H,12,16).
What are the key properties of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide?
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 299.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63736656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).