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

C13H14BrN3O2S — CID 79533674

IUPAC5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2cc(Br)ccc2N)cc1C(=O)NN
InChIInChI=1S/C13H14BrN3O2S/c1-7-10(13(18)17-16)5-9(19-7)6-20-12-4-8(14)2-3-11(12)15/h2-5H,6,15-16H2,1H3,(H,17,18)
InChIKeyMDZGNFITXXOJDQ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.83
Rot. Bonds4

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

5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (PubChem CID 79533674) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
PubChem CID79533674
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2cc(Br)ccc2N)cc1C(=O)NN
InChIInChI=1S/C13H14BrN3O2S/c1-7-10(13(18)17-16)5-9(19-7)6-20-12-4-8(14)2-3-11(12)15/h2-5H,6,15-16H2,1H3,(H,17,18)
InChIKeyMDZGNFITXXOJDQ-UHFFFAOYSA-N
XLogP2.83
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.83
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

2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79533926
5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79141754
5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 63581074
5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 106679449
2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63582837
5-[(2-amino-5-methoxyphenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 79511165
2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352521
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-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416917
2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581314
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63582663

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (CID 79533674) is 5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CSc2cc(Br)ccc2N)cc1C(=O)NN.
What is the InChIKey of 5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is MDZGNFITXXOJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-7-10(13(18)17-16)5-9(19-7)6-20-12-4-8(14)2-3-11(12)15/h2-5H,6,15-16H2,1H3,(H,17,18).
What are the key properties of 5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 356.25 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 79533674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).