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

C22H18N6O2S — CID 71010085

IUPAC5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cncc(C#N)c2C)nc1
InChIInChI=1S/C22H18N6O2S/c1-4-18-20(27-22(31-18)17-7-12(2)30-28-17)14-5-6-19(25-10-14)26-21(29)16-11-24-9-15(8-23)13(16)3/h5-7,9-11H,4H2,1-3H3,(H,25,26,29)
InChIKeyWNSLOPPIXVIMJA-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.56
Rot. Bonds5

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

5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010085) has the molecular formula C22H18N6O2S and a molecular weight of 430.49 g/mol. Its IUPAC name is 5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID71010085
Molecular FormulaC22H18N6O2S
Molecular Weight430.49 g/mol
Exact Mass430.12
IUPAC Name5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cncc(C#N)c2C)nc1
InChIInChI=1S/C22H18N6O2S/c1-4-18-20(27-22(31-18)17-7-12(2)30-28-17)14-5-6-19(25-10-14)26-21(29)16-11-24-9-15(8-23)13(16)3/h5-7,9-11H,4H2,1-3H3,(H,25,26,29)
InChIKeyWNSLOPPIXVIMJA-UHFFFAOYSA-N
XLogP4.56
TPSA117.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 71010085) is 5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is CCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cncc(C#N)c2C)nc1.
What is the InChIKey of 5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is WNSLOPPIXVIMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2S/c1-4-18-20(27-22(31-18)17-7-12(2)30-28-17)14-5-6-19(25-10-14)26-21(29)16-11-24-9-15(8-23)13(16)3/h5-7,9-11H,4H2,1-3H3,(H,25,26,29).
What are the key properties of 5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).