5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile

C23H19N5O2S — CID 146842177

IUPAC5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile
SMILESCCc1sc(-c2cc(C)on2)nc1-c1ccc(CC(=O)c2cncc(C#N)c2C)nc1
InChIInChI=1S/C23H19N5O2S/c1-4-21-22(27-23(31-21)19-7-13(2)30-28-19)15-5-6-17(26-11-15)8-20(29)18-12-25-10-16(9-24)14(18)3/h5-7,10-12H,4,8H2,1-3H3
InChIKeySGJATYPMWWSHRN-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.73
Rot. Bonds6

About 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile

5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile (PubChem CID 146842177) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile
PubChem CID146842177
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile
SMILESCCc1sc(-c2cc(C)on2)nc1-c1ccc(CC(=O)c2cncc(C#N)c2C)nc1
InChIInChI=1S/C23H19N5O2S/c1-4-21-22(27-23(31-21)19-7-13(2)30-28-19)15-5-6-17(26-11-15)8-20(29)18-12-25-10-16(9-24)14(18)3/h5-7,10-12H,4,8H2,1-3H3
InChIKeySGJATYPMWWSHRN-UHFFFAOYSA-N
XLogP4.73
TPSA105.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile (CID 146842177) is 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile is CCc1sc(-c2cc(C)on2)nc1-c1ccc(CC(=O)c2cncc(C#N)c2C)nc1.
What is the InChIKey of 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile?
The InChIKey is SGJATYPMWWSHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-4-21-22(27-23(31-21)19-7-13(2)30-28-19)15-5-6-17(26-11-15)8-20(29)18-12-25-10-16(9-24)14(18)3/h5-7,10-12H,4,8H2,1-3H3.
What are the key properties of 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile?
5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile has a molecular weight of 429.51 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetyl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 146842177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).