4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid

C10H10F2N2O3S — CID 174900156

IUPAC4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C10H10F2N2O3S/c11-10(12)1-3-14(4-2-10)8(15)6-5-18-7(13-6)9(16)17/h5H,1-4H2,(H,16,17)
InChIKeyVVPNCZYCJHFQTJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.71
Rot. Bonds2

About 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid

4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 174900156) has the molecular formula C10H10F2N2O3S and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
PubChem CID174900156
Molecular FormulaC10H10F2N2O3S
Molecular Weight276.26 g/mol
Exact Mass276.04
IUPAC Name4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C10H10F2N2O3S/c11-10(12)1-3-14(4-2-10)8(15)6-5-18-7(13-6)9(16)17/h5H,1-4H2,(H,16,17)
InChIKeyVVPNCZYCJHFQTJ-UHFFFAOYSA-N
XLogP1.71
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,4-difluoropiperidine-1-carbonyl)-N'-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide
CID 121303911
4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 104893005
4-(3-ethylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 104893030
2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 103357450
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
(6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 167713998
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 104892941
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
[2-(aminomethyl)-1,3-thiazol-4-yl]-(8-azaspiro[4.5]decan-8-yl)methanone
CID 66379254
2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696809

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid (CID 174900156) is 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1.
What is the InChIKey of 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is VVPNCZYCJHFQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3S/c11-10(12)1-3-14(4-2-10)8(15)6-5-18-7(13-6)9(16)17/h5H,1-4H2,(H,16,17).
What are the key properties of 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 276.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 174900156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).