2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C21H18F2N4O3S — CID 71262756

IUPAC2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H18F2N4O3S/c22-14-2-1-3-15(23)18(14)20-26-17(11-31-20)19(29)25-16-10-24-7-4-13(16)21(30)27-8-5-12(28)6-9-27/h1-4,7,10-12,28H,5-6,8-9H2,(H,25,29)
InChIKeyAFDCULUKYFTLRN-UHFFFAOYSA-N
MW444.46 g/mol
LogP3.33
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71262756) has the molecular formula C21H18F2N4O3S and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71262756
Molecular FormulaC21H18F2N4O3S
Molecular Weight444.46 g/mol
Exact Mass444.11
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H18F2N4O3S/c22-14-2-1-3-15(23)18(14)20-26-17(11-31-20)19(29)25-16-10-24-7-4-13(16)21(30)27-8-5-12(28)6-9-27/h1-4,7,10-12,28H,5-6,8-9H2,(H,25,29)
InChIKeyAFDCULUKYFTLRN-UHFFFAOYSA-N
XLogP3.33
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71262756) is 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1C(=O)N1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AFDCULUKYFTLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O3S/c22-14-2-1-3-15(23)18(14)20-26-17(11-31-20)19(29)25-16-10-24-7-4-13(16)21(30)27-8-5-12(28)6-9-27/h1-4,7,10-12,28H,5-6,8-9H2,(H,25,29).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).