2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide

C19H17N3O2S — CID 9086784

IUPAC2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2sc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-8-10-15(11-9-12)18(23)21-22-19(24)17-16(20-13(2)25-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDVJWLNMYOPYNBW-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.50
Rot. Bonds3

About 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide

2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 9086784) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID9086784
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2sc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-8-10-15(11-9-12)18(23)21-22-19(24)17-16(20-13(2)25-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDVJWLNMYOPYNBW-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9084680
N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 24640496
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618352
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9142196
1-[(4-fluorophenyl)methyl]-3-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8943086
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9091765
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 17466495
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide (CID 9086784) is 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2sc(C)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is DVJWLNMYOPYNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-8-10-15(11-9-12)18(23)21-22-19(24)17-16(20-13(2)25-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide?
2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 351.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 9086784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).