[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone

C15H15ClFN3O2S — CID 119769224

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
SMILESNCc1nc(C(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)cs1
InChIInChI=1S/C15H15ClFN3O2S/c16-10-5-9(1-2-11(10)17)13-7-20(3-4-22-13)15(21)12-8-23-14(6-18)19-12/h1-2,5,8,13H,3-4,6-7,18H2
InChIKeyXQQOSHIEPVZCAR-UHFFFAOYSA-N
MW355.82 g/mol
LogP2.61
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 119769224) has the molecular formula C15H15ClFN3O2S and a molecular weight of 355.82 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID119769224
Molecular FormulaC15H15ClFN3O2S
Molecular Weight355.82 g/mol
Exact Mass355.06
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
SMILESNCc1nc(C(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)cs1
InChIInChI=1S/C15H15ClFN3O2S/c16-10-5-9(1-2-11(10)17)13-7-20(3-4-22-13)15(21)12-8-23-14(6-18)19-12/h1-2,5,8,13H,3-4,6-7,18H2
InChIKeyXQQOSHIEPVZCAR-UHFFFAOYSA-N
XLogP2.61
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119757090
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315238
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 146123039
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 56878046
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
(3-aminopyrazin-2-yl)-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 119110800
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
(2S)-2-amino-1-[(2R)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-3,3-dimethylbutan-1-one
CID 99849922
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95561076
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668188

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone (CID 119769224) is [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone is NCc1nc(C(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is XQQOSHIEPVZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2S/c16-10-5-9(1-2-11(10)17)13-7-20(3-4-22-13)15(21)12-8-23-14(6-18)19-12/h1-2,5,8,13H,3-4,6-7,18H2.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 355.82 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 119769224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).