N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide

C18H15FN2O3S — CID 42835469

IUPACN-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)Nc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-14-3-2-4-15(9-14)24-10-17-21-16(11-25-17)18(22)20-13-7-5-12(19)6-8-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeySEEZIQYHYCLCMP-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.12
Rot. Bonds6

About N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 42835469) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID42835469
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)Nc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C18H15FN2O3S/c1-23-14-3-2-4-15(9-14)24-10-17-21-16(11-25-17)18(22)20-13-7-5-12(19)6-8-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeySEEZIQYHYCLCMP-UHFFFAOYSA-N
XLogP4.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
2-[(4-fluorophenoxy)methyl]-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24671861
2-[(4-fluorophenoxy)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672806
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285345
2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672202
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866122
2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide
CID 24672163

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 42835469) is N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide is COc1cccc(OCc2nc(C(=O)Nc3ccc(F)cc3)cs2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SEEZIQYHYCLCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-23-14-3-2-4-15(9-14)24-10-17-21-16(11-25-17)18(22)20-13-7-5-12(19)6-8-13/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42835469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).