N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

C20H17ClFN3O3S — CID 167744600

IUPACN-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C20H17ClFN3O3S/c1-11-7-12(21)8-15(19(26)23-2)18(11)25-20(27)16-10-29-17(24-16)9-28-14-5-3-13(22)4-6-14/h3-8,10H,9H2,1-2H3,(H,23,26)(H,25,27)
InChIKeySJCMWYOVDFSPMI-UHFFFAOYSA-N
MW433.89 g/mol
LogP4.43
Rot. Bonds6

About N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 167744600) has the molecular formula C20H17ClFN3O3S and a molecular weight of 433.89 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID167744600
Molecular FormulaC20H17ClFN3O3S
Molecular Weight433.89 g/mol
Exact Mass433.07
IUPAC NameN-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C20H17ClFN3O3S/c1-11-7-12(21)8-15(19(26)23-2)18(11)25-20(27)16-10-29-17(24-16)9-28-14-5-3-13(22)4-6-14/h3-8,10H,9H2,1-2H3,(H,23,26)(H,25,27)
InChIKeySJCMWYOVDFSPMI-UHFFFAOYSA-N
XLogP4.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide
CID 24672163
2-[(4-fluorophenoxy)methyl]-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24671861
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672336
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
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
N-[(2S)-butan-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158727
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105822
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 167744600) is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SJCMWYOVDFSPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3S/c1-11-7-12(21)8-15(19(26)23-2)18(11)25-20(27)16-10-29-17(24-16)9-28-14-5-3-13(22)4-6-14/h3-8,10H,9H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 433.89 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167744600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).