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

C16H20N2O2S — CID 82155172

IUPACN-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cc2nc(CO)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)11-4-6-12(7-5-11)17-14(20)8-15-18-13(9-19)10-21-15/h4-7,10,19H,8-9H2,1-3H3,(H,17,20)
InChIKeyNRJWJAHGPSSDIS-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.11
Rot. Bonds4

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

N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 82155172) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID82155172
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cc2nc(CO)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)11-4-6-12(7-5-11)17-14(20)8-15-18-13(9-19)10-21-15/h4-7,10,19H,8-9H2,1-3H3,(H,17,20)
InChIKeyNRJWJAHGPSSDIS-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
CID 110386263
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462979
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide
CID 43319978
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 43320120
2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide
CID 82155136
4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide
CID 110484497
ethyl 2-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate
CID 99145716
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 29351346
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9006638

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide (CID 82155172) is N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide is CC(C)(C)c1ccc(NC(=O)Cc2nc(CO)cs2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NRJWJAHGPSSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)11-4-6-12(7-5-11)17-14(20)8-15-18-13(9-19)10-21-15/h4-7,10,19H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide?
N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 82155172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).