4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate

C8H13NO2S — CID 174689860

IUPAC4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=NCCS1
InChIInChI=1S/C8H13NO2S/c1-8(2,3)6(10)11-7-9-4-5-12-7/h4-5H2,1-3H3
InChIKeySEFVKNURELRDSY-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.68
Rot. Bonds

About 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate

4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate (PubChem CID 174689860) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate
PubChem CID174689860
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=NCCS1
InChIInChI=1S/C8H13NO2S/c1-8(2,3)6(10)11-7-9-4-5-12-7/h4-5H2,1-3H3
InChIKeySEFVKNURELRDSY-UHFFFAOYSA-N
XLogP1.68
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-yloxy)ethanol
CID 174246740
cyclohexa-1,3-dien-1-yl 2,2-dimethylpropanoate
CID 159378750
methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride
CID 131850093
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915169
2-[2-[1-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-4,5-dihydro-1,3-thiazole
CID 174808830
4,5-dihydro-1,3-thiazole-2-tellurol
CID 174549737
tert-butyl 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 91820808
(2,3,5,6-tetrafluoro-4-methoxyphenyl) 2,2-dimethylpropanoate
CID 130411288
2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide
CID 30309483
(2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate
CID 62705870
2-phenylmethoxy-4,5-dihydro-1,3-thiazole
CID 174841495
2,2-dimethylpropanoyloxymethyl (4R,5S)-3-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 155928586

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate?
The IUPAC name of 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate (CID 174689860) is 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1=NCCS1.
What is the InChIKey of 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate?
The InChIKey is SEFVKNURELRDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-8(2,3)6(10)11-7-9-4-5-12-7/h4-5H2,1-3H3.
What are the key properties of 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate?
4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate has a molecular weight of 187.26 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 174689860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).