[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone

C17H20FN3O2S — CID 120635304

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2csc(CCN)n2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C17H20FN3O2S/c1-11-8-21(17(22)14-10-24-16(20-14)6-7-19)9-15(23-11)12-2-4-13(18)5-3-12/h2-5,10-11,15H,6-9,19H2,1H3
InChIKeyQBANVXQCUZGPNV-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.39
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 120635304) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
PubChem CID120635304
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2csc(CCN)n2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C17H20FN3O2S/c1-11-8-21(17(22)14-10-24-16(20-14)6-7-19)9-15(23-11)12-2-4-13(18)5-3-12/h2-5,10-11,15H,6-9,19H2,1H3
InChIKeyQBANVXQCUZGPNV-UHFFFAOYSA-N
XLogP2.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone;hydrochloride
CID 120635303
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 120625875
2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055790
[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 124694866
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369215
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 120635302
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120633481
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,6-difluorobenzoyl)piperazin-1-yl]methanone
CID 120626679
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone (CID 120635304) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2csc(CCN)n2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is QBANVXQCUZGPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-11-8-21(17(22)14-10-24-16(20-14)6-7-19)9-15(23-11)12-2-4-13(18)5-3-12/h2-5,10-11,15H,6-9,19H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 120635304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).