2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone

C15H16ClN3O2S — CID 12559825

IUPAC2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
SMILESNc1nc(-c2ccc(Cl)cc2)c(CC(=O)N2CCOCC2)s1
InChIInChI=1S/C15H16ClN3O2S/c16-11-3-1-10(2-4-11)14-12(22-15(17)18-14)9-13(20)19-5-7-21-8-6-19/h1-4H,5-9H2,(H2,17,18)
InChIKeyLULGEWOZUBWZDY-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.45
Rot. Bonds3

About 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone

2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone (PubChem CID 12559825) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
PubChem CID12559825
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
SMILESNc1nc(-c2ccc(Cl)cc2)c(CC(=O)N2CCOCC2)s1
InChIInChI=1S/C15H16ClN3O2S/c16-11-3-1-10(2-4-11)14-12(22-15(17)18-14)9-13(20)19-5-7-21-8-6-19/h1-4H,5-9H2,(H2,17,18)
InChIKeyLULGEWOZUBWZDY-UHFFFAOYSA-N
XLogP2.45
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 28856770
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 110329331
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate
CID 29435932
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
6-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
CID 68841111
2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone
CID 45354905
2-[2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-morpholin-4-ylethanone
CID 50850478
ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate
CID 69142821
1-(4-methyl-1,4-diazepan-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 78769683
2-(4,5-diphenyl-1H-imidazol-2-yl)-1-morpholin-4-ylethanone
CID 54562196

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone (CID 12559825) is 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone is Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)N2CCOCC2)s1.
What is the InChIKey of 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone?
The InChIKey is LULGEWOZUBWZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-11-3-1-10(2-4-11)14-12(22-15(17)18-14)9-13(20)19-5-7-21-8-6-19/h1-4H,5-9H2,(H2,17,18).
What are the key properties of 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone?
2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone has a molecular weight of 337.83 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 12559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).