N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C19H16ClFN2O2S — CID 16616440

IUPACN-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)c(Cl)c1
InChIInChI=1S/C19H16ClFN2O2S/c1-11-3-8-16(15(20)9-11)23-19(24)18-12(2)22-17(26-18)10-25-14-6-4-13(21)5-7-14/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyWIQPGZCCRUPVFF-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.38
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16616440) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16616440
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)c(Cl)c1
InChIInChI=1S/C19H16ClFN2O2S/c1-11-3-8-16(15(20)9-11)23-19(24)18-12(2)22-17(26-18)10-25-14-6-4-13(21)5-7-14/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyWIQPGZCCRUPVFF-UHFFFAOYSA-N
XLogP5.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616326
N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 31071480
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 18148839
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 18228720
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 30294157
N-(2-fluorophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741091
ethyl 2-[[2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16616979
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 16616389
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
CID 16616704

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 16616440) is N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WIQPGZCCRUPVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-11-3-8-16(15(20)9-11)23-19(24)18-12(2)22-17(26-18)10-25-14-6-4-13(21)5-7-14/h3-9H,10H2,1-2H3,(H,23,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16616440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).