4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid

C11H15NO4S — CID 114359934

IUPAC4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(CC2CCOC2)sc1C(=O)O
InChIInChI=1S/C11H15NO4S/c1-15-6-8-10(11(13)14)17-9(12-8)4-7-2-3-16-5-7/h7H,2-6H2,1H3,(H,13,14)
InChIKeyCXXBVZZRPSRDST-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.57
Rot. Bonds5

About 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid

4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114359934) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114359934
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(CC2CCOC2)sc1C(=O)O
InChIInChI=1S/C11H15NO4S/c1-15-6-8-10(11(13)14)17-9(12-8)4-7-2-3-16-5-7/h7H,2-6H2,1H3,(H,13,14)
InChIKeyCXXBVZZRPSRDST-UHFFFAOYSA-N
XLogP1.57
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 103985961
2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358664
2-[2-(azepan-1-yl)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 82227659
2-[bis(cyclopropylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509404
methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
CID 103985943
[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361262
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 107509470
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509303
2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509221
4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509219
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide
CID 122559597

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 114359934) is 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(CC2CCOC2)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is CXXBVZZRPSRDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-15-6-8-10(11(13)14)17-9(12-8)4-7-2-3-16-5-7/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).