(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide

C10H12N2O3S — CID 97425366

IUPAC(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@H]1C(=O)Nc1nccs1
InChIInChI=1S/C10H12N2O3S/c1-10(2)6(5-7(13)15-10)8(14)12-9-11-3-4-16-9/h3-4,6H,5H2,1-2H3,(H,11,12,14)/t6-/m0/s1
InChIKeyMLYYKFQNVOOXCD-LURJTMIESA-N
MW240.28 g/mol
LogP1.42
Rot. Bonds2

About (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide

(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide (PubChem CID 97425366) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
PubChem CID97425366
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@H]1C(=O)Nc1nccs1
InChIInChI=1S/C10H12N2O3S/c1-10(2)6(5-7(13)15-10)8(14)12-9-11-3-4-16-9/h3-4,6H,5H2,1-2H3,(H,11,12,14)/t6-/m0/s1
InChIKeyMLYYKFQNVOOXCD-LURJTMIESA-N
XLogP1.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 75357028
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 5067003
1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 71910482
(2S,3S)-3-(1-hydroxypyridin-1-ium-4-yl)-3-methyl-N-(1,3-thiazol-2-yl)-1,2-dihydroindene-2-carboxamide
CID 147593311
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea
CID 71986302
N-(1,3-thiazol-2-yl)azetidine-2-carboxamide
CID 130992868
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 27146998
3-methyl-3-(1-oxidopyridin-1-ium-4-yl)-N-(1,3-thiazol-2-yl)-1,2-dihydroindene-2-carboxamide
CID 87668770
(3S,7aS)-7a-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 2557155
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 878630

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide (CID 97425366) is (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide is CC1(C)OC(=O)C[C@H]1C(=O)Nc1nccs1.
What is the InChIKey of (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
The InChIKey is MLYYKFQNVOOXCD-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-10(2)6(5-7(13)15-10)8(14)12-9-11-3-4-16-9/h3-4,6H,5H2,1-2H3,(H,11,12,14)/t6-/m0/s1.
What are the key properties of (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 97425366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).