3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide

C18H13ClN4O2S — CID 14510431

IUPAC3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide
SMILESNNC(=O)c1sc2nc(-c3ccco3)cc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C18H13ClN4O2S/c19-10-5-3-9(4-6-10)11-8-12(13-2-1-7-25-13)22-18-14(11)15(20)16(26-18)17(24)23-21/h1-8H,20-21H2,(H,23,24)
InChIKeySZTNPZKARKPRLM-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.06
Rot. Bonds3

About 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide

3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide (PubChem CID 14510431) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide
PubChem CID14510431
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide
SMILESNNC(=O)c1sc2nc(-c3ccco3)cc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C18H13ClN4O2S/c19-10-5-3-9(4-6-10)11-8-12(13-2-1-7-25-13)22-18-14(11)15(20)16(26-18)17(24)23-21/h1-8H,20-21H2,(H,23,24)
InChIKeySZTNPZKARKPRLM-UHFFFAOYSA-N
XLogP4.06
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carbohydrazide
CID 10640367
3-amino-6-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 5016303
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
CID 11754873
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
3-amino-4-(4-fluorophenyl)-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carbothioamide
CID 1261605
3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 3131970
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide (CID 14510431) is 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide is NNC(=O)c1sc2nc(-c3ccco3)cc(-c3ccc(Cl)cc3)c2c1N.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide?
The InChIKey is SZTNPZKARKPRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-10-5-3-9(4-6-10)11-8-12(13-2-1-7-25-13)22-18-14(11)15(20)16(26-18)17(24)23-21/h1-8H,20-21H2,(H,23,24).
What are the key properties of 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide?
3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide has a molecular weight of 384.85 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide is sourced from PubChem (CID 14510431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).