2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide

C17H21N3O2S — CID 110342259

IUPAC2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cc1csc(-c2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C17H21N3O2S/c1-4-11(2)18-16(22)9-15-10-23-17(20-15)13-6-5-7-14(8-13)19-12(3)21/h5-8,10-11H,4,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyZRBHYRJEGKRBDY-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.23
Rot. Bonds6

About 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide

2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide (PubChem CID 110342259) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide
PubChem CID110342259
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cc1csc(-c2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C17H21N3O2S/c1-4-11(2)18-16(22)9-15-10-23-17(20-15)13-6-5-7-14(8-13)19-12(3)21/h5-8,10-11H,4,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyZRBHYRJEGKRBDY-UHFFFAOYSA-N
XLogP3.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55581854
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
CID 110342257
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110342285
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 36617877
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 110351971
2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanamide
CID 78795361
(2S,3R)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 29131151
N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55585745

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide (CID 110342259) is 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)Cc1csc(-c2cccc(NC(C)=O)c2)n1.
What is the InChIKey of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide?
The InChIKey is ZRBHYRJEGKRBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-4-11(2)18-16(22)9-15-10-23-17(20-15)13-6-5-7-14(8-13)19-12(3)21/h5-8,10-11H,4,9H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide?
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide has a molecular weight of 331.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide is sourced from PubChem (CID 110342259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).