N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide

C16H20N2OS — CID 110858418

IUPACN-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncsc1CC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H20N2OS/c1-11-14(20-10-17-11)9-15(19)18-13-8-6-5-7-12(13)16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeyDOAHLWIXKKDZMI-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.93
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide

N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide (PubChem CID 110858418) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
PubChem CID110858418
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncsc1CC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H20N2OS/c1-11-14(20-10-17-11)9-15(19)18-13-8-6-5-7-12(13)16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeyDOAHLWIXKKDZMI-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679766
N-(2-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462978
2-(4-methyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110679736
N-(4-acetamidophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679721
N-(2,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679748
N-(2-tert-butylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110419984
N-(2-tert-butylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890125
2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid
CID 12933946
N-(2-tert-butylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 7920165
N-(2-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112997501
N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112997518
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 55170334

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide (CID 110858418) is N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide is Cc1ncsc1CC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is DOAHLWIXKKDZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-14(20-10-17-11)9-15(19)18-13-8-6-5-7-12(13)16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 288.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 110858418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).