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

C13H14FN3O2S — CID 79141754

IUPAC5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2ccc(N)c(F)c2)cc1C(=O)NN
InChIInChI=1S/C13H14FN3O2S/c1-7-10(13(18)17-16)4-8(19-7)6-20-9-2-3-12(15)11(14)5-9/h2-5H,6,15-16H2,1H3,(H,17,18)
InChIKeyINDUGOKOPNKMAY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.21
Rot. Bonds4

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

5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (PubChem CID 79141754) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
PubChem CID79141754
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2ccc(N)c(F)c2)cc1C(=O)NN
InChIInChI=1S/C13H14FN3O2S/c1-7-10(13(18)17-16)4-8(19-7)6-20-9-2-3-12(15)11(14)5-9/h2-5H,6,15-16H2,1H3,(H,17,18)
InChIKeyINDUGOKOPNKMAY-UHFFFAOYSA-N
XLogP2.21
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 63581074
5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416948
2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79141494
5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79533674
2-fluoro-4-[(5-methylfuran-2-yl)methylsulfanyl]aniline
CID 79141898
5-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416943
5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 106679449
2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63582837
5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63580274
2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581314
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63582663
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 104604223

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (CID 79141754) is 5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CSc2ccc(N)c(F)c2)cc1C(=O)NN.
What is the InChIKey of 5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is INDUGOKOPNKMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-7-10(13(18)17-16)4-8(19-7)6-20-9-2-3-12(15)11(14)5-9/h2-5H,6,15-16H2,1H3,(H,17,18).
What are the key properties of 5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 295.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 79141754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).