3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide

C12H13N3O2S — CID 7131039

IUPAC3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(-c2cc(N)c(C(=O)NN)s2)cc1
InChIInChI=1S/C12H13N3O2S/c1-17-8-4-2-7(3-5-8)10-6-9(13)11(18-10)12(16)15-14/h2-6H,13-14H2,1H3,(H,15,16)
InChIKeyNENIEAAZERKIKT-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.61
Rot. Bonds3

About 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide

3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide (PubChem CID 7131039) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
PubChem CID7131039
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(-c2cc(N)c(C(=O)NN)s2)cc1
InChIInChI=1S/C12H13N3O2S/c1-17-8-4-2-7(3-5-8)10-6-9(13)11(18-10)12(16)15-14/h2-6H,13-14H2,1H3,(H,15,16)
InChIKeyNENIEAAZERKIKT-UHFFFAOYSA-N
XLogP1.61
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.61
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'}

Analyze 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 8870172
N-(2-adamantylideneamino)-3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869859
3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869800
3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
CID 8869920
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869912
3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869947
methyl 3-amino-5-(4-iodophenyl)thiophene-2-carboxylate
CID 43155534
4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82441216
3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8870023
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
CID 142601231
methyl 3-amino-5-(4-cyanophenyl)thiophene-2-carboxylate
CID 11994774

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide (CID 7131039) is 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide is COc1ccc(-c2cc(N)c(C(=O)NN)s2)cc1.
What is the InChIKey of 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide?
The InChIKey is NENIEAAZERKIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-17-8-4-2-7(3-5-8)10-6-9(13)11(18-10)12(16)15-14/h2-6H,13-14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide?
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide has a molecular weight of 263.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 7131039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).