2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide

C23H23ClFN3O3S — CID 42865863

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1
InChIInChI=1S/C23H23ClFN3O3S/c24-19-2-1-3-20(25)18(19)14-31-17-6-4-16(5-7-17)23-27-21(15-32-23)22(29)26-8-9-28-10-12-30-13-11-28/h1-7,15H,8-14H2,(H,26,29)
InChIKeyIUNOAEIWGJBAGO-UHFFFAOYSA-N
MW475.97 g/mol
LogP4.24
Rot. Bonds8

About 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide

2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 42865863) has the molecular formula C23H23ClFN3O3S and a molecular weight of 475.97 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID42865863
Molecular FormulaC23H23ClFN3O3S
Molecular Weight475.97 g/mol
Exact Mass475.11
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1
InChIInChI=1S/C23H23ClFN3O3S/c24-19-2-1-3-20(25)18(19)14-31-17-6-4-16(5-7-17)23-27-21(15-32-23)22(29)26-8-9-28-10-12-30-13-11-28/h1-7,15H,8-14H2,(H,26,29)
InChIKeyIUNOAEIWGJBAGO-UHFFFAOYSA-N
XLogP4.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46065918
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 42866233
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347
2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46065798
N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119274
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866122
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065796
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865822
6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 58885848
2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42865871

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide (CID 42865863) is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide is O=C(NCCN1CCOCC1)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IUNOAEIWGJBAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O3S/c24-19-2-1-3-20(25)18(19)14-31-17-6-4-16(5-7-17)23-27-21(15-32-23)22(29)26-8-9-28-10-12-30-13-11-28/h1-7,15H,8-14H2,(H,26,29).
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 475.97 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).