[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride

C15H17BrClN3O2S — CID 119757090

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride
SMILESCl.NCc1nc(C(=O)N2CCOC(c3cccc(Br)c3)C2)cs1
InChIInChI=1S/C15H16BrN3O2S.ClH/c16-11-3-1-2-10(6-11)13-8-19(4-5-21-13)15(20)12-9-22-14(7-17)18-12;/h1-3,6,9,13H,4-5,7-8,17H2;1H
InChIKeyFVPKBFNBDCJCDW-UHFFFAOYSA-N
MW418.74 g/mol
LogP3.00
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride

[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride (PubChem CID 119757090) has the molecular formula C15H17BrClN3O2S and a molecular weight of 418.74 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride
PubChem CID119757090
Molecular FormulaC15H17BrClN3O2S
Molecular Weight418.74 g/mol
Exact Mass416.99
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride
SMILESCl.NCc1nc(C(=O)N2CCOC(c3cccc(Br)c3)C2)cs1
InChIInChI=1S/C15H16BrN3O2S.ClH/c16-11-3-1-2-10(6-11)13-8-19(4-5-21-13)15(20)12-9-22-14(7-17)18-12;/h1-3,6,9,13H,4-5,7-8,17H2;1H
InChIKeyFVPKBFNBDCJCDW-UHFFFAOYSA-N
XLogP3.00
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 119769224
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774202

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride (CID 119757090) is [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride is Cl.NCc1nc(C(=O)N2CCOC(c3cccc(Br)c3)C2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride?
The InChIKey is FVPKBFNBDCJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2S.ClH/c16-11-3-1-2-10(6-11)13-8-19(4-5-21-13)15(20)12-9-22-14(7-17)18-12;/h1-3,6,9,13H,4-5,7-8,17H2;1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride?
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride has a molecular weight of 418.74 g/mol, XLogP of 3.00, 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-bromophenyl)morpholin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119757090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).