3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

C20H17ClN4O3S — CID 24553417

IUPAC3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O3S/c1-12-17(29-20(23-12)13-6-3-2-4-7-13)19(28)25-24-16(26)11-22-18(27)14-8-5-9-15(21)10-14/h2-10H,11H2,1H3,(H,22,27)(H,24,26)(H,25,28)
InChIKeyOACZEHNVFKOZIU-UHFFFAOYSA-N
MW428.90 g/mol
LogP2.96
Rot. Bonds5

About 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 24553417) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID24553417
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC Name3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O3S/c1-12-17(29-20(23-12)13-6-3-2-4-7-13)19(28)25-24-16(26)11-22-18(27)14-8-5-9-15(21)10-14/h2-10H,11H2,1H3,(H,22,27)(H,24,26)(H,25,28)
InChIKeyOACZEHNVFKOZIU-UHFFFAOYSA-N
XLogP2.96
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 25439163
4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 25440089
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55737001
4-methyl-N'-[2-(4-methylanilino)acetyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 18293182
N'-[2-(3-fluorophenyl)acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418648
4-methyl-N'-(2-naphthalen-2-ylacetyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418607
N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55559724
4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 9418645
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide
CID 135846424
N-[4-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 25439927
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 24553417) is 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is OACZEHNVFKOZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c1-12-17(29-20(23-12)13-6-3-2-4-7-13)19(28)25-24-16(26)11-22-18(27)14-8-5-9-15(21)10-14/h2-10H,11H2,1H3,(H,22,27)(H,24,26)(H,25,28).
What are the key properties of 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 428.90 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 24553417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).