2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide

C17H22N4O2S — CID 78903075

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide
SMILESCc1ccc(N(C)CC(=O)NNC(=O)Cc2nc(C)cs2)c(C)c1
InChIInChI=1S/C17H22N4O2S/c1-11-5-6-14(12(2)7-11)21(4)9-16(23)20-19-15(22)8-17-18-13(3)10-24-17/h5-7,10H,8-9H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyFENVJNZFSYLWPM-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.89
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide

2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide (PubChem CID 78903075) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide
PubChem CID78903075
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide
SMILESCc1ccc(N(C)CC(=O)NNC(=O)Cc2nc(C)cs2)c(C)c1
InChIInChI=1S/C17H22N4O2S/c1-11-5-6-14(12(2)7-11)21(4)9-16(23)20-19-15(22)8-17-18-13(3)10-24-17/h5-7,10H,8-9H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyFENVJNZFSYLWPM-UHFFFAOYSA-N
XLogP1.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 55432675
N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24507331
N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24682260
N-(4-methyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484461
N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 55432428
N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 78840619
N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24507621
N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 43056222
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] naphthalene-2-carboxylate
CID 55443767
1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789277
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 55444726

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide (CID 78903075) is 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide is Cc1ccc(N(C)CC(=O)NNC(=O)Cc2nc(C)cs2)c(C)c1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide?
The InChIKey is FENVJNZFSYLWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-5-6-14(12(2)7-11)21(4)9-16(23)20-19-15(22)8-17-18-13(3)10-24-17/h5-7,10H,8-9H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide?
2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide has a molecular weight of 346.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide is sourced from PubChem (CID 78903075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).