3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide

C11H12N4O2S — CID 55212134

IUPAC3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1ccnc(SCc2ccoc2C(=O)NN)n1
InChIInChI=1S/C11H12N4O2S/c1-7-2-4-13-11(14-7)18-6-8-3-5-17-9(8)10(16)15-12/h2-5H,6,12H2,1H3,(H,15,16)
InChIKeyLGVUAPHRMOGJCN-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.27
Rot. Bonds4

About 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide

3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 55212134) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID55212134
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1ccnc(SCc2ccoc2C(=O)NN)n1
InChIInChI=1S/C11H12N4O2S/c1-7-2-4-13-11(14-7)18-6-8-3-5-17-9(8)10(16)15-12/h2-5H,6,12H2,1H3,(H,15,16)
InChIKeyLGVUAPHRMOGJCN-UHFFFAOYSA-N
XLogP1.27
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide (CID 55212134) is 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide is Cc1ccnc(SCc2ccoc2C(=O)NN)n1.
What is the InChIKey of 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is LGVUAPHRMOGJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-2-4-13-11(14-7)18-6-8-3-5-17-9(8)10(16)15-12/h2-5H,6,12H2,1H3,(H,15,16).
What are the key properties of 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 264.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 55212134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).