2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide

C17H19ClFN3O2S — CID 118289505

IUPAC2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C17H19ClFN3O2S/c1-11-16(25-10-21-11)14(22-5-7-24-8-6-22)9-20-17(23)15-12(18)3-2-4-13(15)19/h2-4,10,14H,5-9H2,1H3,(H,20,23)
InChIKeyNEHNXAHKFQFHQY-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.05
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide

2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 118289505) has the molecular formula C17H19ClFN3O2S and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID118289505
Molecular FormulaC17H19ClFN3O2S
Molecular Weight383.88 g/mol
Exact Mass383.09
IUPAC Name2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C17H19ClFN3O2S/c1-11-16(25-10-21-11)14(22-5-7-24-8-6-22)9-20-17(23)15-12(18)3-2-4-13(15)19/h2-4,10,14H,5-9H2,1H3,(H,20,23)
InChIKeyNEHNXAHKFQFHQY-UHFFFAOYSA-N
XLogP3.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-6-methylbenzamide
CID 91827420
2-chloro-6-fluoro-N-(2-{4-[(2-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303523
2-chloro-6-fluoro-N-(2-{4-[(4-fluorophenyl)methoxy]piperidin-1-yl]}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303606
2-chloro-N-(2-{4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)-6-fluorobenzamide
CID 134303648
2-chloro-6-fluoro-N-(2-{4-[(3-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303675
3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 59432555
2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-6-fluoro-benzamide
CID 118289459
2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289462
2-chloro-6-fluoro-N(2-(morpholin-4-yl)-2-(thiazol-5-yl)-ethyl)benzamide
CID 118289465
2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)-ethyl]-6-fluoro-benzamide
CID 118289468
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289469
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide
CID 118289486

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide (CID 118289505) is 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide is Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCOCC1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is NEHNXAHKFQFHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2S/c1-11-16(25-10-21-11)14(22-5-7-24-8-6-22)9-20-17(23)15-12(18)3-2-4-13(15)19/h2-4,10,14H,5-9H2,1H3,(H,20,23).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 383.88 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 118289505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).