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

C16H19ClFN3O2S — CID 119718786

IUPACN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(Cc2cnc(NC(=O)C3CNCCO3)s2)cc1F.Cl
InChIInChI=1S/C16H18FN3O2S.ClH/c1-10-2-3-11(7-13(10)17)6-12-8-19-16(23-12)20-15(21)14-9-18-4-5-22-14;/h2-3,7-8,14,18H,4-6,9H2,1H3,(H,19,20,21);1H
InChIKeyHGCZQESSRCEIHT-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.53
Rot. Bonds4

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

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119718786) has the molecular formula C16H19ClFN3O2S and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119718786
Molecular FormulaC16H19ClFN3O2S
Molecular Weight371.87 g/mol
Exact Mass371.09
IUPAC NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(Cc2cnc(NC(=O)C3CNCCO3)s2)cc1F.Cl
InChIInChI=1S/C16H18FN3O2S.ClH/c1-10-2-3-11(7-13(10)17)6-12-8-19-16(23-12)20-15(21)14-9-18-4-5-22-14;/h2-3,7-8,14,18H,4-6,9H2,1H3,(H,19,20,21);1H
InChIKeyHGCZQESSRCEIHT-UHFFFAOYSA-N
XLogP2.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119698887
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119687344
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936602
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119718780
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 56812814
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55653288
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
3-[[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074678
3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 56531821
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619810
4-(cyclopropylcarbamoylamino)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 55853362

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119718786) is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is Cc1ccc(Cc2cnc(NC(=O)C3CNCCO3)s2)cc1F.Cl.
What is the InChIKey of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is HGCZQESSRCEIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S.ClH/c1-10-2-3-11(7-13(10)17)6-12-8-19-16(23-12)20-15(21)14-9-18-4-5-22-14;/h2-3,7-8,14,18H,4-6,9H2,1H3,(H,19,20,21);1H.
What are the key properties of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119718786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).