N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide

C22H22FN3O2S — CID 46971835

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1CN1CCOCC1
InChIInChI=1S/C22H22FN3O2S/c23-18-7-5-16(6-8-18)13-19-14-24-22(29-19)25-21(27)20-4-2-1-3-17(20)15-26-9-11-28-12-10-26/h1-8,14H,9-13,15H2,(H,24,25,27)
InChIKeyNTQUBMQMEXRWOR-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.96
Rot. Bonds6

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide (PubChem CID 46971835) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide
PubChem CID46971835
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1CN1CCOCC1
InChIInChI=1S/C22H22FN3O2S/c23-18-7-5-16(6-8-18)13-19-14-24-22(29-19)25-21(27)20-4-2-1-3-17(20)15-26-9-11-28-12-10-26/h1-8,14H,9-13,15H2,(H,24,25,27)
InChIKeyNTQUBMQMEXRWOR-UHFFFAOYSA-N
XLogP3.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
CID 71590184
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 24598685
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 51202265
2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899827
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 124984231
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490
CID 131887032
CID 131887032
N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 42999638
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
CID 5139165

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide (CID 46971835) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide is O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1CN1CCOCC1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide?
The InChIKey is NTQUBMQMEXRWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c23-18-7-5-16(6-8-18)13-19-14-24-22(29-19)25-21(27)20-4-2-1-3-17(20)15-26-9-11-28-12-10-26/h1-8,14H,9-13,15H2,(H,24,25,27).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 46971835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).