N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C18H24N2O2S — CID 111483702

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(CC(=O)NCC(C)(O)C(C)C)cc2)cs1
InChIInChI=1S/C18H24N2O2S/c1-12(2)18(4,22)11-19-17(21)9-14-5-7-15(8-6-14)16-10-23-13(3)20-16/h5-8,10,12,22H,9,11H2,1-4H3,(H,19,21)
InChIKeyUYLGYGFQOXZUIK-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.18
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 111483702) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID111483702
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(CC(=O)NCC(C)(O)C(C)C)cc2)cs1
InChIInChI=1S/C18H24N2O2S/c1-12(2)18(4,22)11-19-17(21)9-14-5-7-15(8-6-14)16-10-23-13(3)20-16/h5-8,10,12,22H,9,11H2,1-4H3,(H,19,21)
InChIKeyUYLGYGFQOXZUIK-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111479879
N-(2-cyclopentyl-2-hydroxyethyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111426293
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
(2S)-2-amino-3,3-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837217
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111484329
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568239
3-chloro-2,2-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108749621
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 46545817

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 111483702) is N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2ccc(CC(=O)NCC(C)(O)C(C)C)cc2)cs1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is UYLGYGFQOXZUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12(2)18(4,22)11-19-17(21)9-14-5-7-15(8-6-14)16-10-23-13(3)20-16/h5-8,10,12,22H,9,11H2,1-4H3,(H,19,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 332.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 111483702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).