5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide

C13H14N2O3S — CID 63581074

IUPAC5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2ccc(O)cc2)cc1C(=O)NN
InChIInChI=1S/C13H14N2O3S/c1-8-12(13(17)15-14)6-10(18-8)7-19-11-4-2-9(16)3-5-11/h2-6,16H,7,14H2,1H3,(H,15,17)
InChIKeyAMVBYUFFQQCAKB-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.19
Rot. Bonds4

About 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide

5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63581074) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
PubChem CID63581074
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2ccc(O)cc2)cc1C(=O)NN
InChIInChI=1S/C13H14N2O3S/c1-8-12(13(17)15-14)6-10(18-8)7-19-11-4-2-9(16)3-5-11/h2-6,16H,7,14H2,1H3,(H,15,17)
InChIKeyAMVBYUFFQQCAKB-UHFFFAOYSA-N
XLogP2.19
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.19
H-Bond Donors ≤ 53
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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Related Compounds

5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79141754
5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79533674
2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63582837
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63582663
5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 106679449
5-[(4-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416917
2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581314
5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63580274
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 104604223
5-[(4-methoxyphenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416939
2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 107782939
5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416948

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (CID 63581074) is 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CSc2ccc(O)cc2)cc1C(=O)NN.
What is the InChIKey of 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is AMVBYUFFQQCAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-12(13(17)15-14)6-10(18-8)7-19-11-4-2-9(16)3-5-11/h2-6,16H,7,14H2,1H3,(H,15,17).
What are the key properties of 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 278.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63581074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).