N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide

C22H22FN5O3S — CID 159085011

IUPACN-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C22H22FN5O3S/c23-16-4-6-17(7-5-16)25-21(30)27-22-26-19(14-32-22)15-2-1-3-18(12-15)24-20(29)13-28-8-10-31-11-9-28/h1-7,12,14H,8-11,13H2,(H,24,29)(H2,25,26,27,30)
InChIKeyKBIMRNWCWZYRAE-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.86
Rot. Bonds6

About N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide

N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 159085011) has the molecular formula C22H22FN5O3S and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID159085011
Molecular FormulaC22H22FN5O3S
Molecular Weight455.52 g/mol
Exact Mass455.14
IUPAC NameN-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C22H22FN5O3S/c23-16-4-6-17(7-5-16)25-21(30)27-22-26-19(14-32-22)15-2-1-3-18(12-15)24-20(29)13-28-8-10-31-11-9-28/h1-7,12,14H,8-11,13H2,(H,24,29)(H2,25,26,27,30)
InChIKeyKBIMRNWCWZYRAE-UHFFFAOYSA-N
XLogP3.86
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

TJ-M2010-5
CID 71542350
2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]ethyl]morpholine-4-carboxamide
CID 137643823
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-morpholinyl)acetamide
CID 6468522
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 11955209
2-{[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino}-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16313215
US11319299, Example 616
CID 164608183
N-(4-Phenylthiazol-2-yl)-2-(piperidin-1-yl)acetamide
CID 2336975
{4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-morpholin-4-yl-methanone
CID 654461
2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 658908

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide (CID 159085011) is N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)Nc3ccc(F)cc3)n2)c1.
What is the InChIKey of N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is KBIMRNWCWZYRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3S/c23-16-4-6-17(7-5-16)25-21(30)27-22-26-19(14-32-22)15-2-1-3-18(12-15)24-20(29)13-28-8-10-31-11-9-28/h1-7,12,14H,8-11,13H2,(H,24,29)(H2,25,26,27,30).
What are the key properties of N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide?
N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 455.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 159085011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).