4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid

C10H13NO3S — CID 115036162

IUPAC4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2(C)CCOC2)sc1C(=O)O
InChIInChI=1S/C10H13NO3S/c1-6-7(8(12)13)15-9(11-6)10(2)3-4-14-5-10/h3-5H2,1-2H3,(H,12,13)
InChIKeyWGEOPRJWVCBYDI-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.83
Rot. Bonds2

About 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 115036162) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID115036162
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2(C)CCOC2)sc1C(=O)O
InChIInChI=1S/C10H13NO3S/c1-6-7(8(12)13)15-9(11-6)10(2)3-4-14-5-10/h3-5H2,1-2H3,(H,12,13)
InChIKeyWGEOPRJWVCBYDI-UHFFFAOYSA-N
XLogP1.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid
CID 115035110
3-[2-(3-methyloxolan-3-yl)-1,3-thiazol-5-yl]propanoic acid
CID 115044310
2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67684501
5-(3-methyloxan-3-yl)-1,3-thiazole-2-carboxylic acid
CID 115036144
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carbaldehyde
CID 115021094
2-(1-methylcyclopropyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 81174102
4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360222
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115027752
4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764084
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid (CID 115036162) is 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid is Cc1nc(C2(C)CCOC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WGEOPRJWVCBYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6-7(8(12)13)15-9(11-6)10(2)3-4-14-5-10/h3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyloxolan-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 115036162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).