5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C14H14N2O4S — CID 60870514

IUPAC5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOCc1ccc(C(=O)Nc2snc(C)c2C(=O)O)cc1
InChIInChI=1S/C14H14N2O4S/c1-8-11(14(18)19)13(21-16-8)15-12(17)10-5-3-9(4-6-10)7-20-2/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCCNQYYAGAIRZHM-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.55
Rot. Bonds5

About 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60870514) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60870514
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOCc1ccc(C(=O)Nc2snc(C)c2C(=O)O)cc1
InChIInChI=1S/C14H14N2O4S/c1-8-11(14(18)19)13(21-16-8)15-12(17)10-5-3-9(4-6-10)7-20-2/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCCNQYYAGAIRZHM-UHFFFAOYSA-N
XLogP2.55
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60870514) is 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is COCc1ccc(C(=O)Nc2snc(C)c2C(=O)O)cc1.
What is the InChIKey of 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is CCNQYYAGAIRZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-11(14(18)19)13(21-16-8)15-12(17)10-5-3-9(4-6-10)7-20-2/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methoxymethyl)benzoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60870514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).