2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C17H18N2O3S — CID 889562

IUPAC2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC1(C)C[C@H](CC(=O)Nc2nc(-c3ccccc3)cs2)C(=O)O1
InChIInChI=1S/C17H18N2O3S/c1-17(2)9-12(15(21)22-17)8-14(20)19-16-18-13(10-23-16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyQLTAVVYHNKZROZ-LBPRGKRZSA-N
MW330.41 g/mol
LogP3.48
Rot. Bonds4

About 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 889562) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID889562
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC1(C)C[C@H](CC(=O)Nc2nc(-c3ccccc3)cs2)C(=O)O1
InChIInChI=1S/C17H18N2O3S/c1-17(2)9-12(15(21)22-17)8-14(20)19-16-18-13(10-23-16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyQLTAVVYHNKZROZ-LBPRGKRZSA-N
XLogP3.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3830647
(3R)-5,5-dimethyl-3-[(2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl]oxolan-2-one
CID 5423172
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 39948274
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide
CID 39730442
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
2-(cyclohexylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 856357
(1R,9R,12S)-9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide
CID 98140224
(1S,9S,12S)-9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide
CID 98140225

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 889562) is 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CC1(C)C[C@H](CC(=O)Nc2nc(-c3ccccc3)cs2)C(=O)O1.
What is the InChIKey of 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QLTAVVYHNKZROZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-17(2)9-12(15(21)22-17)8-14(20)19-16-18-13(10-23-16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 889562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).