N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide

C20H17N5O2S — CID 87041098

IUPACN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2ccc(-n3ccnc3)nc2)n1
InChIInChI=1S/C20H17N5O2S/c1-2-27-17-6-4-3-5-15(17)16-12-28-20(23-16)24-19(26)14-7-8-18(22-11-14)25-10-9-21-13-25/h3-13H,2H2,1H3,(H,23,24,26)
InChIKeyPXPAFCIVUHMESV-UHFFFAOYSA-N
MW391.46 g/mol
LogP4.04
Rot. Bonds6

About N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 87041098) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID87041098
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2ccc(-n3ccnc3)nc2)n1
InChIInChI=1S/C20H17N5O2S/c1-2-27-17-6-4-3-5-15(17)16-12-28-20(23-16)24-19(26)14-7-8-18(22-11-14)25-10-9-21-13-25/h3-13H,2H2,1H3,(H,23,24,26)
InChIKeyPXPAFCIVUHMESV-UHFFFAOYSA-N
XLogP4.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 51130924
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55895352
4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 55677206
N-[1-(4-ethoxyphenyl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001965
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-imidazol-1-yl-3-nitrobenzamide
CID 112760807
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 87041098) is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide is CCOc1ccccc1-c1csc(NC(=O)c2ccc(-n3ccnc3)nc2)n1.
What is the InChIKey of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is PXPAFCIVUHMESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-2-27-17-6-4-3-5-15(17)16-12-28-20(23-16)24-19(26)14-7-8-18(22-11-14)25-10-9-21-13-25/h3-13H,2H2,1H3,(H,23,24,26).
What are the key properties of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 87041098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).