4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid

C11H15NO3S2 — CID 65158383

IUPAC4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(SCCC2CCCO2)sc1C(=O)O
InChIInChI=1S/C11H15NO3S2/c1-7-9(10(13)14)17-11(12-7)16-6-4-8-3-2-5-15-8/h8H,2-6H2,1H3,(H,13,14)
InChIKeyXOEPGMDQCWUQJT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.81
Rot. Bonds5

About 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 65158383) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid
PubChem CID65158383
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(SCCC2CCCO2)sc1C(=O)O
InChIInChI=1S/C11H15NO3S2/c1-7-9(10(13)14)17-11(12-7)16-6-4-8-3-2-5-15-8/h8H,2-6H2,1H3,(H,13,14)
InChIKeyXOEPGMDQCWUQJT-UHFFFAOYSA-N
XLogP2.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154389
4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 102896273
4-methyl-2-[[[2-(oxolan-2-yl)acetyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 65157384
4-methyl-2-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 176654966
4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 64554779
2-(3-ethylsulfonylpropylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65094322
2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-amine
CID 65166408
4-[2-(oxolan-2-yl)ethylsulfanyl]pyridine-2-carboxylic acid
CID 79554128
5-methyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid
CID 65158380
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
CID 51077970
6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine
CID 115331111

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid (CID 65158383) is 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(SCCC2CCCO2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is XOEPGMDQCWUQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-7-9(10(13)14)17-11(12-7)16-6-4-8-3-2-5-15-8/h8H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 65158383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).