2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide

C21H20FN3O2S — CID 78823479

IUPAC2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20FN3O2S/c22-17-5-3-16(4-6-17)21-24-19(14-28-21)20(26)23-18-7-1-15(2-8-18)13-25-9-11-27-12-10-25/h1-8,14H,9-13H2,(H,23,26)
InChIKeyZZMSMKUTSTUJPC-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.03
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 78823479) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID78823479
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20FN3O2S/c22-17-5-3-16(4-6-17)21-24-19(14-28-21)20(26)23-18-7-1-15(2-8-18)13-25-9-11-27-12-10-25/h1-8,14H,9-13H2,(H,23,26)
InChIKeyZZMSMKUTSTUJPC-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78892236
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-(4-fluorophenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119213
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39940519
1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 164531856
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide
CID 67450045
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 78823479) is 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZZMSMKUTSTUJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-17-5-3-16(4-6-17)21-24-19(14-28-21)20(26)23-18-7-1-15(2-8-18)13-25-9-11-27-12-10-25/h1-8,14H,9-13H2,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78823479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).