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

C20H16FN5O2S — CID 30884881

IUPAC2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C20H16FN5O2S/c1-13-18(29-17(24-13)12-28-15-7-5-14(21)6-8-15)20(27)25-16-4-2-9-22-19(16)26-11-3-10-23-26/h2-11H,12H2,1H3,(H,25,27)
InChIKeyRTZDJWNZPAVXAW-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.00
Rot. Bonds6

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

2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 30884881) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID30884881
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C20H16FN5O2S/c1-13-18(29-17(24-13)12-28-15-7-5-14(21)6-8-15)20(27)25-16-4-2-9-22-19(16)26-11-3-10-23-26/h2-11H,12H2,1H3,(H,25,27)
InChIKeyRTZDJWNZPAVXAW-UHFFFAOYSA-N
XLogP4.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 30884881) is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RTZDJWNZPAVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-13-18(29-17(24-13)12-28-15-7-5-14(21)6-8-15)20(27)25-16-4-2-9-22-19(16)26-11-3-10-23-26/h2-11H,12H2,1H3,(H,25,27).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30884881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).