5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide

C12H14N4O2S — CID 63590649

IUPAC5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1cnc(SCc2cc(C(=O)NN)oc2C)nc1
InChIInChI=1S/C12H14N4O2S/c1-7-4-14-12(15-5-7)19-6-9-3-10(11(17)16-13)18-8(9)2/h3-5H,6,13H2,1-2H3,(H,16,17)
InChIKeyZJFVWVUKJJZIGA-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.58
Rot. Bonds4

About 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide

5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63590649) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID63590649
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1cnc(SCc2cc(C(=O)NN)oc2C)nc1
InChIInChI=1S/C12H14N4O2S/c1-7-4-14-12(15-5-7)19-6-9-3-10(11(17)16-13)18-8(9)2/h3-5H,6,13H2,1-2H3,(H,16,17)
InChIKeyZJFVWVUKJJZIGA-UHFFFAOYSA-N
XLogP1.58
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.58
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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Related Compounds

4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 55214476
4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580891
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63582745
5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63581065
4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580050
4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63582698
4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide
CID 66126413
4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63575453
4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63577829
4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63584013
4-[(3-amino-2-methylphenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 79143661

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide (CID 63590649) is 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide is Cc1cnc(SCc2cc(C(=O)NN)oc2C)nc1.
What is the InChIKey of 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is ZJFVWVUKJJZIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-4-14-12(15-5-7)19-6-9-3-10(11(17)16-13)18-8(9)2/h3-5H,6,13H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide?
5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 278.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63590649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).