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

C21H19N5O2S — CID 70978435

IUPACN-[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)c2cnccc2C)nc1
InChIInChI=1S/C21H19N5O2S/c1-4-17-19(25-21(29-17)16-9-13(3)28-26-16)14-5-6-18(23-10-14)24-20(27)15-11-22-8-7-12(15)2/h5-11H,4H2,1-3H3,(H,23,24,27)
InChIKeyOVVPWMGHORFVRX-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.69
Rot. Bonds5

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

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 70978435) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 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 NameN-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID70978435
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-[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)c2cnccc2C)nc1
InChIInChI=1S/C21H19N5O2S/c1-4-17-19(25-21(29-17)16-9-13(3)28-26-16)14-5-6-18(23-10-14)24-20(27)15-11-22-8-7-12(15)2/h5-11H,4H2,1-3H3,(H,23,24,27)
InChIKeyOVVPWMGHORFVRX-UHFFFAOYSA-N
XLogP4.69
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.69
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-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 70978435) is 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 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 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)c2cnccc2C)nc1.
What is the InChIKey of 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 OVVPWMGHORFVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-4-17-19(25-21(29-17)16-9-13(3)28-26-16)14-5-6-18(23-10-14)24-20(27)15-11-22-8-7-12(15)2/h5-11H,4H2,1-3H3,(H,23,24,27).
What are the key properties of N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
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 405.48 g/mol, XLogP of 4.69, 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-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).