N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride

C15H17BrClN3O2S — CID 119698887

IUPACN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)C1CNCCO1
InChIInChI=1S/C15H16BrN3O2S.ClH/c16-11-3-1-10(2-4-11)7-12-8-18-15(22-12)19-14(20)13-9-17-5-6-21-13;/h1-4,8,13,17H,5-7,9H2,(H,18,19,20);1H
InChIKeyXUOSRZRXZUMLSM-UHFFFAOYSA-N
MW418.74 g/mol
LogP2.85
Rot. Bonds4

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119698887) has the molecular formula C15H17BrClN3O2S and a molecular weight of 418.74 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119698887
Molecular FormulaC15H17BrClN3O2S
Molecular Weight418.74 g/mol
Exact Mass416.99
IUPAC NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)C1CNCCO1
InChIInChI=1S/C15H16BrN3O2S.ClH/c16-11-3-1-10(2-4-11)7-12-8-18-15(22-12)19-14(20)13-9-17-5-6-21-13;/h1-4,8,13,17H,5-7,9H2,(H,18,19,20);1H
InChIKeyXUOSRZRXZUMLSM-UHFFFAOYSA-N
XLogP2.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.74
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119718786
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119687344
cis-(1R,2S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167944765
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
(2S,5R)-5-(aminomethyl)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785174
N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119748246
3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119698879
N-(6-bromo-3-pyridinyl)morpholine-2-carboxamide
CID 103813958
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 18164840
(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951
2-bromo-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 17015927
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119698887) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)C1CNCCO1.
What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is XUOSRZRXZUMLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2S.ClH/c16-11-3-1-10(2-4-11)7-12-8-18-15(22-12)19-14(20)13-9-17-5-6-21-13;/h1-4,8,13,17H,5-7,9H2,(H,18,19,20);1H.
What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 418.74 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119698887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).