N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

C20H16FN5O2S — CID 71010082

IUPACN-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCCc1sc(-c2ccon2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C20H16FN5O2S/c1-3-16-18(25-20(29-16)15-6-7-28-26-15)12-4-5-17(23-8-12)24-19(27)13-9-22-10-14(21)11(13)2/h4-10H,3H2,1-2H3,(H,23,24,27)
InChIKeyPRFOJIMWSJYGKM-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.52
Rot. Bonds5

About N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 71010082) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID71010082
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC NameN-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCCc1sc(-c2ccon2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C20H16FN5O2S/c1-3-16-18(25-20(29-16)15-6-7-28-26-15)12-4-5-17(23-8-12)24-19(27)13-9-22-10-14(21)11(13)2/h4-10H,3H2,1-2H3,(H,23,24,27)
InChIKeyPRFOJIMWSJYGKM-UHFFFAOYSA-N
XLogP4.52
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 71010082) is N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is CCc1sc(-c2ccon2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is PRFOJIMWSJYGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-3-16-18(25-20(29-16)15-6-7-28-26-15)12-4-5-17(23-8-12)24-19(27)13-9-22-10-14(21)11(13)2/h4-10H,3H2,1-2H3,(H,23,24,27).
What are the key properties of N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-ethyl-2-(1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).