5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

C14H13FN2O3S — CID 79397367

IUPAC5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(C(=O)N(C)c2snc(C)c2C(=O)O)ccc1F
InChIInChI=1S/C14H13FN2O3S/c1-7-6-9(4-5-10(7)15)12(18)17(3)13-11(14(19)20)8(2)16-21-13/h4-6H,1-3H3,(H,19,20)
InChIKeyONJQBBSMFDCZHT-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.87
Rot. Bonds3

About 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79397367) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79397367
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(C(=O)N(C)c2snc(C)c2C(=O)O)ccc1F
InChIInChI=1S/C14H13FN2O3S/c1-7-6-9(4-5-10(7)15)12(18)17(3)13-11(14(19)20)8(2)16-21-13/h4-6H,1-3H3,(H,19,20)
InChIKeyONJQBBSMFDCZHT-UHFFFAOYSA-N
XLogP2.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79397367) is 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1cc(C(=O)N(C)c2snc(C)c2C(=O)O)ccc1F.
What is the InChIKey of 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is ONJQBBSMFDCZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-7-6-9(4-5-10(7)15)12(18)17(3)13-11(14(19)20)8(2)16-21-13/h4-6H,1-3H3,(H,19,20).
What are the key properties of 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79397367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).