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

C21H18ClN5O2S — CID 71010066

IUPAC5-chloro-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(Cl)c2C)nc1
InChIInChI=1S/C21H18ClN5O2S/c1-4-17-19(26-21(30-17)16-7-11(2)29-27-16)13-5-6-18(24-8-13)25-20(28)14-9-23-10-15(22)12(14)3/h5-10H,4H2,1-3H3,(H,24,25,28)
InChIKeyZFKBBEMKCLPVBE-UHFFFAOYSA-N
MW439.93 g/mol
LogP5.34
Rot. Bonds5

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

5-chloro-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 71010066) has the molecular formula C21H18ClN5O2S and a molecular weight of 439.93 g/mol. Its IUPAC name is 5-chloro-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-chloro-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID71010066
Molecular FormulaC21H18ClN5O2S
Molecular Weight439.93 g/mol
Exact Mass439.09
IUPAC Name5-chloro-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(Cl)c2C)nc1
InChIInChI=1S/C21H18ClN5O2S/c1-4-17-19(26-21(30-17)16-7-11(2)29-27-16)13-5-6-18(24-8-13)25-20(28)14-9-23-10-15(22)12(14)3/h5-10H,4H2,1-3H3,(H,24,25,28)
InChIKeyZFKBBEMKCLPVBE-UHFFFAOYSA-N
XLogP5.34
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.93
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-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-chloro-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 71010066) is 5-chloro-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-chloro-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-chloro-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(Cl)c2C)nc1.
What is the InChIKey of 5-chloro-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 ZFKBBEMKCLPVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2S/c1-4-17-19(26-21(30-17)16-7-11(2)29-27-16)13-5-6-18(24-8-13)25-20(28)14-9-23-10-15(22)12(14)3/h5-10H,4H2,1-3H3,(H,24,25,28).
What are the key properties of 5-chloro-N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
5-chloro-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 439.93 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-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 71010066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).