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

C21H18FN5O2S — CID 70978057

IUPACN-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCCc1sc(-c2cc(C)no2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H18FN5O2S/c1-4-17-19(26-21(30-17)16-7-11(2)27-29-16)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)
InChIKeyNUMCRTRVMBIALI-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.83
Rot. Bonds5

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

N-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 70978057) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID70978057
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC NameN-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCCc1sc(-c2cc(C)no2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H18FN5O2S/c1-4-17-19(26-21(30-17)16-7-11(2)27-29-16)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)
InChIKeyNUMCRTRVMBIALI-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

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

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Related Compounds

N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002828
N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002878
4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 51002927
1-[5-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
CID 68639684
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanamide
CID 139269402
2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide
CID 139269515
5-[2-(4-methylanilino)thiazol-4-yl]-N-(2-pyridyl)isoxazole-3-carboxamide
CID 134816824
N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine
CID 155563141
N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002928
[4-(3-Phenylisoxazol-5-yl)-thiazol-2-yl]-pyridin-4-yl-amine
CID 51002930
5-fluoro-4-methyl-N-(5-(5-methyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)nicotinamide
CID 70980271
N-(5-(5-ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-5-fluoro-4-methylnicotinamide
CID 71010065

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 70978057) is N-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-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-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is CCc1sc(-c2cc(C)no2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of N-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is NUMCRTRVMBIALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c1-4-17-19(26-21(30-17)16-7-11(2)27-29-16)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-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[5-ethyl-2-(3-methyl-1,2-oxazol-5-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-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).