2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C21H19FN6O3S — CID 25096446

IUPAC2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cnn(CCOc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C21H19FN6O3S/c1-14-18(19(29)24-12-15-3-2-8-23-11-15)32-20(26-14)27-13-25-28(21(27)30)9-10-31-17-6-4-16(22)5-7-17/h2-8,11,13H,9-10,12H2,1H3,(H,24,29)
InChIKeyUKGARQJWXPNPOQ-UHFFFAOYSA-N
MW454.49 g/mol
LogP2.34
Rot. Bonds8

About 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 25096446) has the molecular formula C21H19FN6O3S and a molecular weight of 454.49 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID25096446
Molecular FormulaC21H19FN6O3S
Molecular Weight454.49 g/mol
Exact Mass454.12
IUPAC Name2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cnn(CCOc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C21H19FN6O3S/c1-14-18(19(29)24-12-15-3-2-8-23-11-15)32-20(26-14)27-13-25-28(21(27)30)9-10-31-17-6-4-16(22)5-7-17/h2-8,11,13H,9-10,12H2,1H3,(H,24,29)
InChIKeyUKGARQJWXPNPOQ-UHFFFAOYSA-N
XLogP2.34
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-(5-Fluoro-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247347
5-(3-Fluoro-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247350
4-methyl-2-(5-oxo-1-((5-(trifluoromethyl)furan-2-yl)methyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481269
2-(3-fluorophenoxy)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 8123755
2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18127531
2-(3-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 8123627
N-Benzyl-4-methyl-2-(2-oxo-4-(pyridin-2-ylmethoxy)pyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24983812
N-Benzyl-4-methyl-2-(2-oxo-4-(pyridin-3-ylmethoxy)pyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24985612
2-(Phenoxymethyl)-5-pyridin-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247225
2-acetamido-N-[(1S)-1-[4-[(3R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91668623
2-acetamido-4-methyl-N-[(1S)-1-[4-[(3R)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 91668625
2-acetamido-4-methyl-N-[(1S)-1-[4-[(3R)-1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 91668626

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 25096446) is 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2cnn(CCOc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UKGARQJWXPNPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O3S/c1-14-18(19(29)24-12-15-3-2-8-23-11-15)32-20(26-14)27-13-25-28(21(27)30)9-10-31-17-6-4-16(22)5-7-17/h2-8,11,13H,9-10,12H2,1H3,(H,24,29).
What are the key properties of 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenoxy)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25096446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).