N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide

C12H11F2N3O2S — CID 75436662

IUPACN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C12H11F2N3O2S/c1-7-11(20-6-15-7)12(18)17-9-3-2-4-10(16-9)19-5-8(13)14/h2-4,6,8H,5H2,1H3,(H,16,17,18)
InChIKeyBFNIQJVFKOEZHX-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.74
Rot. Bonds5

About N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 75436662) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID75436662
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C12H11F2N3O2S/c1-7-11(20-6-15-7)12(18)17-9-3-2-4-10(16-9)19-5-8(13)14/h2-4,6,8H,5H2,1H3,(H,16,17,18)
InChIKeyBFNIQJVFKOEZHX-UHFFFAOYSA-N
XLogP2.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 75436662) is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cccc(OCC(F)F)n1.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BFNIQJVFKOEZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-7-11(20-6-15-7)12(18)17-9-3-2-4-10(16-9)19-5-8(13)14/h2-4,6,8H,5H2,1H3,(H,16,17,18).
What are the key properties of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 299.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75436662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).