2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one

C21H23N3O3S — CID 126779158

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)NCc1cnc(-c2ccco2)s1)N1CCOCC1
InChIInChI=1S/C21H23N3O3S/c25-21(24-8-11-26-12-9-24)18(13-16-5-2-1-3-6-16)22-14-17-15-23-20(28-17)19-7-4-10-27-19/h1-7,10,15,18,22H,8-9,11-14H2
InChIKeyHGJBSQXNQCMFQP-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.96
Rot. Bonds7

About 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one

2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 126779158) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID126779158
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)NCc1cnc(-c2ccco2)s1)N1CCOCC1
InChIInChI=1S/C21H23N3O3S/c25-21(24-8-11-26-12-9-24)18(13-16-5-2-1-3-6-16)22-14-17-15-23-20(28-17)19-7-4-10-27-19/h1-7,10,15,18,22H,8-9,11-14H2
InChIKeyHGJBSQXNQCMFQP-UHFFFAOYSA-N
XLogP2.96
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one with MolForge

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Related Compounds

2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 126787696
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
CID 99779339
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one
CID 126786204
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
2,6-dichloro-N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 34320418
1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 66832556
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
2-(furan-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 37488570

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one (CID 126779158) is 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one is O=C(C(Cc1ccccc1)NCc1cnc(-c2ccco2)s1)N1CCOCC1.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is HGJBSQXNQCMFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-21(24-8-11-26-12-9-24)18(13-16-5-2-1-3-6-16)22-14-17-15-23-20(28-17)19-7-4-10-27-19/h1-7,10,15,18,22H,8-9,11-14H2.
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one?
2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 397.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 126779158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).