3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide

C15H14N4OS — CID 53270913

IUPAC3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
SMILESCc1ccc(-c2ccc3c(N)c(C(=O)NN)sc3n2)cc1
InChIInChI=1S/C15H14N4OS/c1-8-2-4-9(5-3-8)11-7-6-10-12(16)13(14(20)19-17)21-15(10)18-11/h2-7H,16-17H2,1H3,(H,19,20)
InChIKeyWDUBMMSCFURTDI-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.46
Rot. Bonds2

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

3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide (PubChem CID 53270913) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
PubChem CID53270913
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
SMILESCc1ccc(-c2ccc3c(N)c(C(=O)NN)sc3n2)cc1
InChIInChI=1S/C15H14N4OS/c1-8-2-4-9(5-3-8)11-7-6-10-12(16)13(14(20)19-17)21-15(10)18-11/h2-7H,16-17H2,1H3,(H,19,20)
InChIKeyWDUBMMSCFURTDI-UHFFFAOYSA-N
XLogP2.46
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.46
H-Bond Donors ≤ 53
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

3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004132
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
CID 765624
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
CID 1004090
3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002396
3-amino-6-(1,3-benzodioxol-5-yl)-N-(2,5-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003968
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[[3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-methoxybenzoate
CID 87047649
3-amino-N-(4-bromo-2-methylphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004038
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970146

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide?
The IUPAC name of 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide (CID 53270913) is 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide.
What is the SMILES notation for 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide?
The canonical SMILES for 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide is Cc1ccc(-c2ccc3c(N)c(C(=O)NN)sc3n2)cc1.
What is the InChIKey of 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide?
The InChIKey is WDUBMMSCFURTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-8-2-4-9(5-3-8)11-7-6-10-12(16)13(14(20)19-17)21-15(10)18-11/h2-7H,16-17H2,1H3,(H,19,20).
What are the key properties of 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide?
3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide has a molecular weight of 298.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide is sourced from PubChem (CID 53270913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).