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

C21H18FN5O2S — CID 71010065

IUPACN-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H18FN5O2S/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)
InChIKeyNWRSGVMPOCACIF-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.83
Rot. Bonds5

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

N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 71010065) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 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]-5-fluoro-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]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID71010065
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC NameN-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H18FN5O2S/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)
InChIKeyNWRSGVMPOCACIF-UHFFFAOYSA-N
XLogP4.83
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.83
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]-5-fluoro-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]-5-fluoro-4-methylpyridine-3-carboxamide (CID 71010065) is N-[5-[5-ethyl-2-(5-methyl-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-(5-methyl-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-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is CCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)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]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is NWRSGVMPOCACIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/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 N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 4.83, 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]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).