2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide

C13H14ClN3OS — CID 82428450

IUPAC2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide
SMILESCCc1nc(Cc2ccc(Cl)cc2)sc1C(=O)NN
InChIInChI=1S/C13H14ClN3OS/c1-2-10-12(13(18)17-15)19-11(16-10)7-8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3,(H,17,18)
InChIKeyXUHFPKZECFCLSU-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.55
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide

2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82428450) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide
PubChem CID82428450
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide
SMILESCCc1nc(Cc2ccc(Cl)cc2)sc1C(=O)NN
InChIInChI=1S/C13H14ClN3OS/c1-2-10-12(13(18)17-15)19-11(16-10)7-8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3,(H,17,18)
InChIKeyXUHFPKZECFCLSU-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431516
ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68982830
[2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099022
4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide
CID 82429378
4-[(4-chlorophenyl)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226937
4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428854
2-[(4-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 113459181
4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428920
2-benzyl-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428384
4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 83969610
4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide
CID 82430612
2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 71148060

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide (CID 82428450) is 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide is CCc1nc(Cc2ccc(Cl)cc2)sc1C(=O)NN.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is XUHFPKZECFCLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-2-10-12(13(18)17-15)19-11(16-10)7-8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide?
2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 295.80 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82428450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).