N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide

C16H18N2O2S — CID 31288202

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(=O)c1sc(NC(=O)CC(C)C)nc1-c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-10(2)9-13(20)17-16-18-14(15(21-16)11(3)19)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,18,20)
InChIKeyAAQKDRUVUFFEJY-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.00
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide (PubChem CID 31288202) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
PubChem CID31288202
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(=O)c1sc(NC(=O)CC(C)C)nc1-c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-10(2)9-13(20)17-16-18-14(15(21-16)11(3)19)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,18,20)
InChIKeyAAQKDRUVUFFEJY-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 26196521
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586093
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 16831339
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 134060555
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide
CID 24509189
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 6116402
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272183
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 51513965
N-[1-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 112767846

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide (CID 31288202) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide is CC(=O)c1sc(NC(=O)CC(C)C)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide?
The InChIKey is AAQKDRUVUFFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10(2)9-13(20)17-16-18-14(15(21-16)11(3)19)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,18,20).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide has a molecular weight of 302.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 31288202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).