1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C11H15F2N3OS — CID 75463859

IUPAC1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(CC(F)F)C1
InChIInChI=1S/C11H15F2N3OS/c12-9(13)7-16-4-1-2-8(6-16)10(17)15-11-14-3-5-18-11/h3,5,8-9H,1-2,4,6-7H2,(H,14,15,17)
InChIKeyHQHHDUSULINWDN-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.06
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 75463859) has the molecular formula C11H15F2N3OS and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID75463859
Molecular FormulaC11H15F2N3OS
Molecular Weight275.32 g/mol
Exact Mass275.09
IUPAC Name1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(CC(F)F)C1
InChIInChI=1S/C11H15F2N3OS/c12-9(13)7-16-4-1-2-8(6-16)10(17)15-11-14-3-5-18-11/h3,5,8-9H,1-2,4,6-7H2,(H,14,15,17)
InChIKeyHQHHDUSULINWDN-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 75463859) is 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is HQHHDUSULINWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3OS/c12-9(13)7-16-4-1-2-8(6-16)10(17)15-11-14-3-5-18-11/h3,5,8-9H,1-2,4,6-7H2,(H,14,15,17).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 275.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 75463859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).