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

C22H20FN5O2S — CID 24956491

IUPAC2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H20FN5O2S/c1-15-20(21(29)25-14-16-3-2-9-24-13-16)31-22(26-15)19-8-10-28(27-19)11-12-30-18-6-4-17(23)5-7-18/h2-10,13H,11-12,14H2,1H3,(H,25,29)
InChIKeyZLTCYIDFMSNXKL-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.86
Rot. Bonds8

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

2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 24956491) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID24956491
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H20FN5O2S/c1-15-20(21(29)25-14-16-3-2-9-24-13-16)31-22(26-15)19-8-10-28(27-19)11-12-30-18-6-4-17(23)5-7-18/h2-10,13H,11-12,14H2,1H3,(H,25,29)
InChIKeyZLTCYIDFMSNXKL-UHFFFAOYSA-N
XLogP3.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-(2-(4-fluorophenoxy)ethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25096446
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 90072519
US11660293, Example 141
CID 137535451
US11613527, Example 109
CID 162779189
US9546152, example 46
CID 74222752
US9617282, Example 115
CID 86298932
US9617282, Example 110
CID 86298933
US9617282, Example 111
CID 86298934
US9617282, Example 112
CID 86298935
US9617282, Example 113
CID 86298936
US9617282, Example 114
CID 86299000
US9617282, Example 116
CID 86299001

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 24956491) is 2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccn(CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZLTCYIDFMSNXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-15-20(21(29)25-14-16-3-2-9-24-13-16)31-22(26-15)19-8-10-28(27-19)11-12-30-18-6-4-17(23)5-7-18/h2-10,13H,11-12,14H2,1H3,(H,25,29).
What are the key properties of 2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24956491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).