4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide

C13H13N3O2S — CID 110445281

IUPAC4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2nccs2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)16-11-4-2-10(3-5-11)13(18)15-8-12-14-6-7-19-12/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyHKESTRCMAGRMHB-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.03
Rot. Bonds4

About 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide

4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 110445281) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID110445281
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2nccs2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)16-11-4-2-10(3-5-11)13(18)15-8-12-14-6-7-19-12/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyHKESTRCMAGRMHB-UHFFFAOYSA-N
XLogP2.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
CID 63655785
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 92659597
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63978404
4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113341365
4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103872542
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 110445281) is 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide is CC(=O)Nc1ccc(C(=O)NCc2nccs2)cc1.
What is the InChIKey of 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is HKESTRCMAGRMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9(17)16-11-4-2-10(3-5-11)13(18)15-8-12-14-6-7-19-12/h2-7H,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide?
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 275.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 110445281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).