N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide

C13H14N4O2S — CID 66486249

IUPACN-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)NNc1nc(-c2ccccc2)c(NC(C)=O)s1
InChIInChI=1S/C13H14N4O2S/c1-8(18)14-12-11(10-6-4-3-5-7-10)15-13(20-12)17-16-9(2)19/h3-7H,1-2H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyXJYQNTVPQYCHOV-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.23
Rot. Bonds4

About N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide

N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide (PubChem CID 66486249) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
PubChem CID66486249
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)NNc1nc(-c2ccccc2)c(NC(C)=O)s1
InChIInChI=1S/C13H14N4O2S/c1-8(18)14-12-11(10-6-4-3-5-7-10)15-13(20-12)17-16-9(2)19/h3-7H,1-2H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyXJYQNTVPQYCHOV-UHFFFAOYSA-N
XLogP2.23
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.23
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

N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 1178648
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 139088849
N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 14201120
methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065435
methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065385
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide (CID 66486249) is N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide is CC(=O)NNc1nc(-c2ccccc2)c(NC(C)=O)s1.
What is the InChIKey of N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is XJYQNTVPQYCHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8(18)14-12-11(10-6-4-3-5-7-10)15-13(20-12)17-16-9(2)19/h3-7H,1-2H3,(H,14,18)(H,15,17)(H,16,19).
What are the key properties of N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide?
N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 290.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 66486249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).