2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid

C15H15FN2O3S — CID 94760953

IUPAC2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(CC(=O)Nc2ccccc2F)sc1C(=O)O
InChIInChI=1S/C15H15FN2O3S/c1-2-5-11-14(15(20)21)22-13(18-11)8-12(19)17-10-7-4-3-6-9(10)16/h3-4,6-7H,2,5,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyBHTVMJCKGYXKJW-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.11
Rot. Bonds6

About 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid

2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 94760953) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID94760953
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(CC(=O)Nc2ccccc2F)sc1C(=O)O
InChIInChI=1S/C15H15FN2O3S/c1-2-5-11-14(15(20)21)22-13(18-11)8-12(19)17-10-7-4-3-6-9(10)16/h3-4,6-7H,2,5,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyBHTVMJCKGYXKJW-UHFFFAOYSA-N
XLogP3.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 82155272
N-(2-fluorophenyl)butanamide
CID 849021
2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94760645
2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154722
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289824
2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065234
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
N-(2-fluorophenyl)hexanamide
CID 3481165
2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154260
2-[(3,4-dimethylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359522
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 94760953) is 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(CC(=O)Nc2ccccc2F)sc1C(=O)O.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is BHTVMJCKGYXKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-2-5-11-14(15(20)21)22-13(18-11)8-12(19)17-10-7-4-3-6-9(10)16/h3-4,6-7H,2,5,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94760953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).