2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide

C9H9N3O2S — CID 43244788

IUPAC2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
SMILESCc1sc(-c2ccco2)nc1C(=O)NN
InChIInChI=1S/C9H9N3O2S/c1-5-7(8(13)12-10)11-9(15-5)6-3-2-4-14-6/h2-4H,10H2,1H3,(H,12,13)
InChIKeyBHPWPPKVFKKBJM-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.32
Rot. Bonds2

About 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide

2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide (PubChem CID 43244788) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
PubChem CID43244788
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
SMILESCc1sc(-c2ccco2)nc1C(=O)NN
InChIInChI=1S/C9H9N3O2S/c1-5-7(8(13)12-10)11-9(15-5)6-3-2-4-14-6/h2-4H,10H2,1H3,(H,12,13)
InChIKeyBHPWPPKVFKKBJM-UHFFFAOYSA-N
XLogP1.32
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide (CID 43244788) is 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide is Cc1sc(-c2ccco2)nc1C(=O)NN.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is BHPWPPKVFKKBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-7(8(13)12-10)11-9(15-5)6-3-2-4-14-6/h2-4H,10H2,1H3,(H,12,13).
What are the key properties of 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide?
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 223.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 43244788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).