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

C21H21N3O2S — CID 134134531

IUPAC2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1nc(-c2ccccc2)c(-c2ccccc2)s1)N1CCOCC1
InChIInChI=1S/C21H21N3O2S/c25-18(24-11-13-26-14-12-24)15-22-21-23-19(16-7-3-1-4-8-16)20(27-21)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,23)
InChIKeyLUMUSZXTZZDHLH-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.75
Rot. Bonds5

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

2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone (PubChem CID 134134531) has the molecular formula C21H21N3O2S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone
PubChem CID134134531
Molecular FormulaC21H21N3O2S
Molecular Weight379.48 g/mol
Exact Mass379.14
IUPAC Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1nc(-c2ccccc2)c(-c2ccccc2)s1)N1CCOCC1
InChIInChI=1S/C21H21N3O2S/c25-18(24-11-13-26-14-12-24)15-22-21-23-19(16-7-3-1-4-8-16)20(27-21)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,23)
InChIKeyLUMUSZXTZZDHLH-UHFFFAOYSA-N
XLogP3.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
4-(4,5-Diphenyl-1,3-thiazol-2-yl)morpholine
CID 9509183
(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
CID 23646351
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
N-benzyl-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
CID 1830730
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
1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-2-piperidin-1-yl-ethanone
CID 10139215
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 11955209
(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide
CID 23646352
Morpholin-4-yl-[4-(4-phenyl-thiazol-2-yl)-piperazin-1-yl]-methanone
CID 649570
N-cyclohexyl-2-(morpholin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 1236968

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone (CID 134134531) is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone is O=C(CNc1nc(-c2ccccc2)c(-c2ccccc2)s1)N1CCOCC1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone?
The InChIKey is LUMUSZXTZZDHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-18(24-11-13-26-14-12-24)15-22-21-23-19(16-7-3-1-4-8-16)20(27-21)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,23).
What are the key properties of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone?
2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone has a molecular weight of 379.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 134134531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).