2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide

C18H24N2O2S — CID 111471780

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESCC(C)(C)c1nc(CC(=O)NCCC(O)c2ccccc2)cs1
InChIInChI=1S/C18H24N2O2S/c1-18(2,3)17-20-14(12-23-17)11-16(22)19-10-9-15(21)13-7-5-4-6-8-13/h4-8,12,15,21H,9-11H2,1-3H3,(H,19,22)
InChIKeyGQVSUPOWYJREDB-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide (PubChem CID 111471780) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
PubChem CID111471780
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESCC(C)(C)c1nc(CC(=O)NCCC(O)c2ccccc2)cs1
InChIInChI=1S/C18H24N2O2S/c1-18(2,3)17-20-14(12-23-17)11-16(22)19-10-9-15(21)13-7-5-4-6-8-13/h4-8,12,15,21H,9-11H2,1-3H3,(H,19,22)
InChIKeyGQVSUPOWYJREDB-UHFFFAOYSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119499665
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701706
2-benzyl-3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119234070
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119422829
2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119256010
2-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136837256
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide (CID 111471780) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide is CC(C)(C)c1nc(CC(=O)NCCC(O)c2ccccc2)cs1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is GQVSUPOWYJREDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-18(2,3)17-20-14(12-23-17)11-16(22)19-10-9-15(21)13-7-5-4-6-8-13/h4-8,12,15,21H,9-11H2,1-3H3,(H,19,22).
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide is sourced from PubChem (CID 111471780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).