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

C20H16F2N4O3S — CID 71262716

IUPAC2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCOCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H16F2N4O3S/c21-13-2-1-3-14(22)17(13)19-25-16(11-30-19)18(27)24-15-10-23-5-4-12(15)20(28)26-6-8-29-9-7-26/h1-5,10-11H,6-9H2,(H,24,27)
InChIKeyAMAUUJLLLLLWQN-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.21
Rot. Bonds4

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

2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71262716) has the molecular formula C20H16F2N4O3S and a molecular weight of 430.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71262716
Molecular FormulaC20H16F2N4O3S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCOCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H16F2N4O3S/c21-13-2-1-3-14(22)17(13)19-25-16(11-30-19)18(27)24-15-10-23-5-4-12(15)20(28)26-6-8-29-9-7-26/h1-5,10-11H,6-9H2,(H,24,27)
InChIKeyAMAUUJLLLLLWQN-UHFFFAOYSA-N
XLogP3.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71262716) is 2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1C(=O)N1CCOCC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AMAUUJLLLLLWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3S/c21-13-2-1-3-14(22)17(13)19-25-16(11-30-19)18(27)24-15-10-23-5-4-12(15)20(28)26-6-8-29-9-7-26/h1-5,10-11H,6-9H2,(H,24,27).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).