4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide

C15H15N3O3S — CID 43033822

IUPAC4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2nc(C(C)=O)cs2)cc1
InChIInChI=1S/C15H15N3O3S/c1-9(19)13-8-22-15(17-13)18-14(21)12-5-3-11(4-6-12)7-16-10(2)20/h3-6,8H,7H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyGWDJGCXUHWZINT-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.23
Rot. Bonds5

About 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide

4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide (PubChem CID 43033822) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
PubChem CID43033822
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2nc(C(C)=O)cs2)cc1
InChIInChI=1S/C15H15N3O3S/c1-9(19)13-8-22-15(17-13)18-14(21)12-5-3-11(4-6-12)7-16-10(2)20/h3-6,8H,7H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyGWDJGCXUHWZINT-UHFFFAOYSA-N
XLogP2.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide (CID 43033822) is 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide is CC(=O)NCc1ccc(C(=O)Nc2nc(C(C)=O)cs2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GWDJGCXUHWZINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9(19)13-8-22-15(17-13)18-14(21)12-5-3-11(4-6-12)7-16-10(2)20/h3-6,8H,7H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide?
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 317.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 43033822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).