5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid

C10H12N4O3S — CID 102643311

IUPAC5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1Cc1csc(C)n1
InChIInChI=1S/C10H12N4O3S/c1-6-11-7(5-18-6)3-14-8(4-17-2)9(10(15)16)12-13-14/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyQFIQIZKGRVDQSH-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.94
Rot. Bonds5

About 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid

5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid (PubChem CID 102643311) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
PubChem CID102643311
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1Cc1csc(C)n1
InChIInChI=1S/C10H12N4O3S/c1-6-11-7(5-18-6)3-14-8(4-17-2)9(10(15)16)12-13-14/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyQFIQIZKGRVDQSH-UHFFFAOYSA-N
XLogP0.94
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643382
ethyl 5-(chloromethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylate
CID 103109272
1-[(2,6-dimethylphenyl)methyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643389
5-(3-methylimidazol-4-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 103115581
5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid
CID 82202427
5-(methoxymethyl)-1-propyltriazole-4-carboxylic acid
CID 82204864
1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55177822
5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 94946118
methyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-pyrrolidin-2-yltriazole-4-carboxylate
CID 103126719
1-(1,3-benzodioxol-5-ylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643208
5-(2-methoxyethyl)-1-[(6-methoxy-2-pyridinyl)methyl]triazole-4-carboxylic acid
CID 102645892
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643359

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid (CID 102643311) is 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid is COCc1c(C(=O)O)nnn1Cc1csc(C)n1.
What is the InChIKey of 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is QFIQIZKGRVDQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-6-11-7(5-18-6)3-14-8(4-17-2)9(10(15)16)12-13-14/h5H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid?
5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 268.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 102643311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).