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

C17H21ClFN3O2S — CID 119776825

IUPACN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C17H20FN3O2S.ClH/c1-10(20-16(22)14-9-19-7-8-23-14)15-11(2)21-17(24-15)12-3-5-13(18)6-4-12;/h3-6,10,14,19H,7-9H2,1-2H3,(H,20,22);1H
InChIKeyLPAXMUDNHJNVDV-UHFFFAOYSA-N
MW385.89 g/mol
LogP2.85
Rot. Bonds4

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

N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119776825) has the molecular formula C17H21ClFN3O2S and a molecular weight of 385.89 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119776825
Molecular FormulaC17H21ClFN3O2S
Molecular Weight385.89 g/mol
Exact Mass385.10
IUPAC NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C17H20FN3O2S.ClH/c1-10(20-16(22)14-9-19-7-8-23-14)15-11(2)21-17(24-15)12-3-5-13(18)6-4-12;/h3-6,10,14,19H,7-9H2,1-2H3,(H,20,22);1H
InChIKeyLPAXMUDNHJNVDV-UHFFFAOYSA-N
XLogP2.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119319611
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 119319600
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119321373
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
(2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931705
N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686288
N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119325847
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119779753
(2S)-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769044
(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769043
(2R)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769045
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631267

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride (CID 119776825) is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride is Cc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is LPAXMUDNHJNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S.ClH/c1-10(20-16(22)14-9-19-7-8-23-14)15-11(2)21-17(24-15)12-3-5-13(18)6-4-12;/h3-6,10,14,19H,7-9H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 385.89 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-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119776825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).