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

C11H12F2N2O3S — CID 114226156

IUPAC5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2CCC(F)(F)C2)c1C(=O)O
InChIInChI=1S/C11H12F2N2O3S/c1-5-7(10(17)18)9(19-15-5)14-8(16)6-2-3-11(12,13)4-6/h6H,2-4H2,1H3,(H,14,16)(H,17,18)
InChIKeyFWDGRJKADJFQRE-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.52
Rot. Bonds3

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

5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 114226156) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID114226156
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2CCC(F)(F)C2)c1C(=O)O
InChIInChI=1S/C11H12F2N2O3S/c1-5-7(10(17)18)9(19-15-5)14-8(16)6-2-3-11(12,13)4-6/h6H,2-4H2,1H3,(H,14,16)(H,17,18)
InChIKeyFWDGRJKADJFQRE-UHFFFAOYSA-N
XLogP2.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60870139
3-Methyl-5-(3,3,3-trifluoropropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60871360
3-Methyl-5-(2,2,2-trifluoroacetamido)isothiazole-4-carboxylic acid
CID 61000808
3-Methyl-5-(4,4,4-trifluorobutanoylamino)-1,2-thiazole-4-carboxylic acid
CID 65711502
3-Methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79397901
3-Methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylic acid
CID 79401911
3-Methyl-5-[methyl(3,3,3-trifluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402548
3-Methyl-5-[methyl(4,4,4-trifluorobutanoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79403032
3-Methyl-5-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79403046
5-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79811380
5-[(4,4-Difluorocyclohexanecarbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81928944
5-[(4,4-Difluorocyclohexanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81930069

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 114226156) is 5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)C2CCC(F)(F)C2)c1C(=O)O.
What is the InChIKey of 5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is FWDGRJKADJFQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c1-5-7(10(17)18)9(19-15-5)14-8(16)6-2-3-11(12,13)4-6/h6H,2-4H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 114226156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).