5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide

C13H10ClN3O2S — CID 102724829

IUPAC5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
SMILESN#Cc1ccc(OCc2ccc(C(=O)NN)s2)cc1Cl
InChIInChI=1S/C13H10ClN3O2S/c14-11-5-9(2-1-8(11)6-15)19-7-10-3-4-12(20-10)13(18)17-16/h1-5H,7,16H2,(H,17,18)
InChIKeyMMFUTRFGOGBZMV-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.46
Rot. Bonds4

About 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide

5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 102724829) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID102724829
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
SMILESN#Cc1ccc(OCc2ccc(C(=O)NN)s2)cc1Cl
InChIInChI=1S/C13H10ClN3O2S/c14-11-5-9(2-1-8(11)6-15)19-7-10-3-4-12(20-10)13(18)17-16/h1-5H,7,16H2,(H,17,18)
InChIKeyMMFUTRFGOGBZMV-UHFFFAOYSA-N
XLogP2.46
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.46
H-Bond Donors ≤ 52
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

6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide
CID 102724820
5-[(3-chloro-2-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 114323992
4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 102724819
5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102724830
5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576843
2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
CID 102724111
5-[(3-chloro-4-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 102723937
5-[(4-bromo-2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 107661600
5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 115496156
2-[2-[(3-chloro-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 102723934
3-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carboxylic acid
CID 102723950
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide (CID 102724829) is 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide is N#Cc1ccc(OCc2ccc(C(=O)NN)s2)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is MMFUTRFGOGBZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-11-5-9(2-1-8(11)6-15)19-7-10-3-4-12(20-10)13(18)17-16/h1-5H,7,16H2,(H,17,18).
What are the key properties of 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide?
5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide has a molecular weight of 307.76 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 102724829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).