2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide

C9H9N3O2S2 — CID 63580365

IUPAC2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1nccs1
InChIInChI=1S/C9H9N3O2S2/c10-12-8(13)6-1-3-14-7(6)5-16-9-11-2-4-15-9/h1-4H,5,10H2,(H,12,13)
InChIKeyMCTTYBYAJNLDRB-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.63
Rot. Bonds4

About 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide

2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 63580365) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID63580365
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1nccs1
InChIInChI=1S/C9H9N3O2S2/c10-12-8(13)6-1-3-14-7(6)5-16-9-11-2-4-15-9/h1-4H,5,10H2,(H,12,13)
InChIKeyMCTTYBYAJNLDRB-UHFFFAOYSA-N
XLogP1.63
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'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 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide (CID 63580365) is 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is MCTTYBYAJNLDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c10-12-8(13)6-1-3-14-7(6)5-16-9-11-2-4-15-9/h1-4H,5,10H2,(H,12,13).
What are the key properties of 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 255.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63580365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).