2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

C21H18FN3O3S — CID 78892236

IUPAC2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN3O3S/c22-16-5-1-14(2-6-16)20-24-18(13-29-20)19(26)23-17-7-3-15(4-8-17)21(27)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H,23,26)
InChIKeyWJRMJNYXXKQLNU-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.67
Rot. Bonds4

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

2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 78892236) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID78892236
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC Name2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN3O3S/c22-16-5-1-14(2-6-16)20-24-18(13-29-20)19(26)23-17-7-3-15(4-8-17)21(27)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H,23,26)
InChIKeyWJRMJNYXXKQLNU-UHFFFAOYSA-N
XLogP3.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
N-(4-fluorophenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119213
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082885
2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 47048396
2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39940519
(6,6-difluoro-1,4-oxazepan-4-yl)-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 125143108
2-[(4-fluorophenoxy)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672806
2-(4-fluorophenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78865281
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide
CID 67450045

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (CID 78892236) is 2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WJRMJNYXXKQLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c22-16-5-1-14(2-6-16)20-24-18(13-29-20)19(26)23-17-7-3-15(4-8-17)21(27)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.67, 4 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-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78892236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).