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

C16H17ClFN3O2S — CID 118289465

IUPAC2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide
SMILESO=C(NCC(c1cncs1)N1CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN3O2S/c17-11-2-1-3-12(18)15(11)16(22)20-8-13(14-9-19-10-24-14)21-4-6-23-7-5-21/h1-3,9-10,13H,4-8H2,(H,20,22)
InChIKeyYMJCARAHZRULBC-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.74
Rot. Bonds5

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

2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 118289465) has the molecular formula C16H17ClFN3O2S and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID118289465
Molecular FormulaC16H17ClFN3O2S
Molecular Weight369.85 g/mol
Exact Mass369.07
IUPAC Name2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide
SMILESO=C(NCC(c1cncs1)N1CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN3O2S/c17-11-2-1-3-12(18)15(11)16(22)20-8-13(14-9-19-10-24-14)21-4-6-23-7-5-21/h1-3,9-10,13H,4-8H2,(H,20,22)
InChIKeyYMJCARAHZRULBC-UHFFFAOYSA-N
XLogP2.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.74
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-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-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289469
2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(1,3-thiazol-2-yl)-ethyl]-6-fluoro-benzamide
CID 118289474
N-{2-[4-(benzyloxy)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethyl}-2-chloro-6-fluorobenzamide
CID 118289482
2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)-ethyl]-6-fluoro-benzamide
CID 118289483
5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 118289495
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289497
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(morpholin-4-yl)ethyl]benzamide
CID 118289505
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide; 2-hydroxy-2-oxo-acetate
CID 118289516
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 118289526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide (CID 118289465) is 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide is O=C(NCC(c1cncs1)N1CCOCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is YMJCARAHZRULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2S/c17-11-2-1-3-12(18)15(11)16(22)20-8-13(14-9-19-10-24-14)21-4-6-23-7-5-21/h1-3,9-10,13H,4-8H2,(H,20,22).
What are the key properties of 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 369.85 g/mol, XLogP of 2.74, 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-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 118289465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).