3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C16H18F2N4O2S — CID 120998545

IUPAC3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)c1ncccc1OCC(F)F
InChIInChI=1S/C16H18F2N4O2S/c17-13(18)9-24-11-2-1-5-20-14(11)15(23)22-16-21-8-12(25-16)10-3-6-19-7-4-10/h1-2,5,8,10,13,19H,3-4,6-7,9H2,(H,21,22,23)
InChIKeyDLFXXMNBXXWGLP-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.90
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide

3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 120998545) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID120998545
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)c1ncccc1OCC(F)F
InChIInChI=1S/C16H18F2N4O2S/c17-13(18)9-24-11-2-1-5-20-14(11)15(23)22-16-21-8-12(25-16)10-3-6-19-7-4-10/h1-2,5,8,10,13,19H,3-4,6-7,9H2,(H,21,22,23)
InChIKeyDLFXXMNBXXWGLP-UHFFFAOYSA-N
XLogP2.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 120998545) is 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1ncc(C2CCNCC2)s1)c1ncccc1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is DLFXXMNBXXWGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c17-13(18)9-24-11-2-1-5-20-14(11)15(23)22-16-21-8-12(25-16)10-3-6-19-7-4-10/h1-2,5,8,10,13,19H,3-4,6-7,9H2,(H,21,22,23).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 120998545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).