4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid

C9H8N2O3S2 — CID 114359943

IUPAC4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2cscn2)sc1C(=O)O
InChIInChI=1S/C9H8N2O3S2/c1-14-2-5-7(9(12)13)16-8(11-5)6-3-15-4-10-6/h3-4H,2H2,1H3,(H,12,13)
InChIKeyZTBJBUIEBLFMIM-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.11
Rot. Bonds4

About 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid

4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114359943) has the molecular formula C9H8N2O3S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114359943
Molecular FormulaC9H8N2O3S2
Molecular Weight256.31 g/mol
Exact Mass256.00
IUPAC Name4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2cscn2)sc1C(=O)O
InChIInChI=1S/C9H8N2O3S2/c1-14-2-5-7(9(12)13)16-8(11-5)6-3-15-4-10-6/h3-4H,2H2,1H3,(H,12,13)
InChIKeyZTBJBUIEBLFMIM-UHFFFAOYSA-N
XLogP2.11
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylpropyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360339
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
2-(4-bromothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360066
2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359955
2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358831
2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360752
4-(methoxymethyl)-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360750
4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920327
2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 106886087
2-isoquinolin-1-yl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359989
4-(2-methyloxiran-2-yl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 170582475
2-(2-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359912

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid (CID 114359943) is 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid is COCc1nc(-c2cscn2)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZTBJBUIEBLFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S2/c1-14-2-5-7(9(12)13)16-8(11-5)6-3-15-4-10-6/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).