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

C17H22N2O2S — CID 111663091

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)N(C)CC(C)(C)O)cs2)c1
InChIInChI=1S/C17H22N2O2S/c1-12-6-5-7-13(8-12)16-18-14(10-22-16)9-15(20)19(4)11-17(2,3)21/h5-8,10,21H,9,11H2,1-4H3
InChIKeyLRZPGUYNODKHPM-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.89
Rot. Bonds5

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

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 111663091) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID111663091
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)N(C)CC(C)(C)O)cs2)c1
InChIInChI=1S/C17H22N2O2S/c1-12-6-5-7-13(8-12)16-18-14(10-22-16)9-15(20)19(4)11-17(2,3)21/h5-8,10,21H,9,11H2,1-4H3
InChIKeyLRZPGUYNODKHPM-UHFFFAOYSA-N
XLogP2.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-(3-amino-2,2-dimethylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119656281
N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119554455
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
2-[cyclopropyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067262
methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 78884785
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
2-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543202
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 111543162
2-methyl-3-[methyl-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122111619

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 111663091) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1cccc(-c2nc(CC(=O)N(C)CC(C)(C)O)cs2)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is LRZPGUYNODKHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-6-5-7-13(8-12)16-18-14(10-22-16)9-15(20)19(4)11-17(2,3)21/h5-8,10,21H,9,11H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 318.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 111663091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).