3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide

C12H12ClN3O2S — CID 79142522

IUPAC3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CSc1cc(N)ccc1Cl
InChIInChI=1S/C12H12ClN3O2S/c13-9-2-1-8(14)5-10(9)19-6-7-3-4-18-11(7)12(17)16-15/h1-5H,6,14-15H2,(H,16,17)
InChIKeyLDCGUONZARWTAD-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.41
Rot. Bonds4

About 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide

3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 79142522) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID79142522
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CSc1cc(N)ccc1Cl
InChIInChI=1S/C12H12ClN3O2S/c13-9-2-1-8(14)5-10(9)19-6-7-3-4-18-11(7)12(17)16-15/h1-5H,6,14-15H2,(H,16,17)
InChIKeyLDCGUONZARWTAD-UHFFFAOYSA-N
XLogP2.41
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.41
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-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 79142609
3-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581739
methyl 3-[(4-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carboxylate
CID 43305184
3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55215048
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-3-carboxylic acid
CID 79134512
3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63580715
3-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581352
2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 55214856
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820
2-[4-[(5-amino-2-chlorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 105345252
4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580050
3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212134

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide (CID 79142522) is 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide is NNC(=O)c1occc1CSc1cc(N)ccc1Cl.
What is the InChIKey of 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is LDCGUONZARWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-9-2-1-8(14)5-10(9)19-6-7-3-4-18-11(7)12(17)16-15/h1-5H,6,14-15H2,(H,16,17).
What are the key properties of 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide?
3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 297.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 79142522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).