4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide

C13H16N4O2S2 — CID 79515830

IUPAC4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCCOc1ccc(N)c(SCc2csc(C(=O)NN)n2)c1
InChIInChI=1S/C13H16N4O2S2/c1-2-19-9-3-4-10(14)11(5-9)20-6-8-7-21-13(16-8)12(18)17-15/h3-5,7H,2,6,14-15H2,1H3,(H,17,18)
InChIKeyVLKYPDUBYFCPRQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.02
Rot. Bonds6

About 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide

4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 79515830) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
PubChem CID79515830
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCCOc1ccc(N)c(SCc2csc(C(=O)NN)n2)c1
InChIInChI=1S/C13H16N4O2S2/c1-2-19-9-3-4-10(14)11(5-9)20-6-8-7-21-13(16-8)12(18)17-15/h3-5,7H,2,6,14-15H2,1H3,(H,17,18)
InChIKeyVLKYPDUBYFCPRQ-UHFFFAOYSA-N
XLogP2.02
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-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

4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79148538
4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79527451
4-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 79518909
2-[(5-bromothiophen-3-yl)methylsulfanyl]-4-ethoxyaniline
CID 79526574
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580507
4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63579999
6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909719
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63574785
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
4-[(2-amino-6-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63582766
4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63696092

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (CID 79515830) is 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is CCOc1ccc(N)c(SCc2csc(C(=O)NN)n2)c1.
What is the InChIKey of 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is VLKYPDUBYFCPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-2-19-9-3-4-10(14)11(5-9)20-6-8-7-21-13(16-8)12(18)17-15/h3-5,7H,2,6,14-15H2,1H3,(H,17,18).
What are the key properties of 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 324.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 79515830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).