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

C23H22F3N5O4S — CID 164890418

IUPAC2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C23H22F3N5O4S/c24-23(25,26)35-18-6-4-16(5-7-18)28-21(33)30-22-29-19(14-36-22)15-2-1-3-17(12-15)27-20(32)13-31-8-10-34-11-9-31/h1-7,12,14H,8-11,13H2,(H,27,32)(H2,28,29,30,33)
InChIKeyYKQOLGPGDJHXBI-UHFFFAOYSA-N
MW521.52 g/mol
LogP4.62
Rot. Bonds7

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

2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 164890418) has the molecular formula C23H22F3N5O4S and a molecular weight of 521.52 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID164890418
Molecular FormulaC23H22F3N5O4S
Molecular Weight521.52 g/mol
Exact Mass521.13
IUPAC Name2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C23H22F3N5O4S/c24-23(25,26)35-18-6-4-16(5-7-18)28-21(33)30-22-29-19(14-36-22)15-2-1-3-17(12-15)27-20(32)13-31-8-10-34-11-9-31/h1-7,12,14H,8-11,13H2,(H,27,32)(H2,28,29,30,33)
InChIKeyYKQOLGPGDJHXBI-UHFFFAOYSA-N
XLogP4.62
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.52
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide (CID 164890418) is 2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide is O=C(CN1CCOCC1)Nc1cccc(-c2csc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is YKQOLGPGDJHXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O4S/c24-23(25,26)35-18-6-4-16(5-7-18)28-21(33)30-22-29-19(14-36-22)15-2-1-3-17(12-15)27-20(32)13-31-8-10-34-11-9-31/h1-7,12,14H,8-11,13H2,(H,27,32)(H2,28,29,30,33).
What are the key properties of 2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 521.52 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 164890418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).