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

C20H17F2N5O2S — CID 71262739

IUPAC2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCNCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F2N5O2S/c21-13-2-1-3-14(22)17(13)19-26-16(11-30-19)18(28)25-15-10-24-5-4-12(15)20(29)27-8-6-23-7-9-27/h1-5,10-11,23H,6-9H2,(H,25,28)
InChIKeyUZTJYLXMGNKCCI-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.78
Rot. Bonds4

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

2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71262739) has the molecular formula C20H17F2N5O2S and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71262739
Molecular FormulaC20H17F2N5O2S
Molecular Weight429.45 g/mol
Exact Mass429.11
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCNCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F2N5O2S/c21-13-2-1-3-14(22)17(13)19-26-16(11-30-19)18(28)25-15-10-24-5-4-12(15)20(29)27-8-6-23-7-9-27/h1-5,10-11,23H,6-9H2,(H,25,28)
InChIKeyUZTJYLXMGNKCCI-UHFFFAOYSA-N
XLogP2.78
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.78
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-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71262739) is 2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1C(=O)N1CCNCC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UZTJYLXMGNKCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2S/c21-13-2-1-3-14(22)17(13)19-26-16(11-30-19)18(28)25-15-10-24-5-4-12(15)20(29)27-8-6-23-7-9-27/h1-5,10-11,23H,6-9H2,(H,25,28).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 2.78, 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-(piperazine-1-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).