N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide

C15H18N2OS — CID 110462979

IUPACN-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cc2cscn2)cc1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)11-4-6-12(7-5-11)17-14(18)8-13-9-19-10-16-13/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyQHYZNUSAOXAFBR-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.62
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide

N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 110462979) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
PubChem CID110462979
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cc2cscn2)cc1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)11-4-6-12(7-5-11)17-14(18)8-13-9-19-10-16-13/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyQHYZNUSAOXAFBR-UHFFFAOYSA-N
XLogP3.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462978
N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 82155172
N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
CID 110386263
N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679486
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
2-(1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 54326383
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
CID 163960954
CID 163960954
N-(2-ethyl-6-methylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110857953
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 155969654
N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 55013341
4-(1,3-thiazol-4-ylmethylcarbamoylamino)benzoic acid
CID 63825574

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide (CID 110462979) is N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide is CC(C)(C)c1ccc(NC(=O)Cc2cscn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is QHYZNUSAOXAFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2,3)11-4-6-12(7-5-11)17-14(18)8-13-9-19-10-16-13/h4-7,9-10H,8H2,1-3H3,(H,17,18).
What are the key properties of N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide?
N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 274.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110462979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).