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

C23H21FN4O2S — CID 59489552

IUPACN-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H21FN4O2S/c1-16-21(22(29)25-15-17-5-3-2-4-6-17)31-23(26-16)20-11-12-28(27-20)13-14-30-19-9-7-18(24)8-10-19/h2-12H,13-15H2,1H3,(H,25,29)
InChIKeyAXBXPJURPLQSPM-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.46
Rot. Bonds8

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

N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59489552) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID59489552
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC NameN-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H21FN4O2S/c1-16-21(22(29)25-15-17-5-3-2-4-6-17)31-23(26-16)20-11-12-28(27-20)13-14-30-19-9-7-18(24)8-10-19/h2-12H,13-15H2,1H3,(H,25,29)
InChIKeyAXBXPJURPLQSPM-UHFFFAOYSA-N
XLogP4.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 59489552) is N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccn(CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AXBXPJURPLQSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-16-21(22(29)25-15-17-5-3-2-4-6-17)31-23(26-16)20-11-12-28(27-20)13-14-30-19-9-7-18(24)8-10-19/h2-12H,13-15H2,1H3,(H,25,29).
What are the key properties of N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59489552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).