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

C18H13Cl2FN2O2S — CID 31071480

IUPACN-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H13Cl2FN2O2S/c1-10-17(18(24)23-14-4-2-3-13(19)16(14)20)26-15(22-10)9-25-12-7-5-11(21)6-8-12/h2-8H,9H2,1H3,(H,23,24)
InChIKeyYITMLPLSRAXCQM-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.73
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 31071480) has the molecular formula C18H13Cl2FN2O2S and a molecular weight of 411.29 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID31071480
Molecular FormulaC18H13Cl2FN2O2S
Molecular Weight411.29 g/mol
Exact Mass410.01
IUPAC NameN-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H13Cl2FN2O2S/c1-10-17(18(24)23-14-4-2-3-13(19)16(14)20)26-15(22-10)9-25-12-7-5-11(21)6-8-12/h2-8H,9H2,1H3,(H,23,24)
InChIKeyYITMLPLSRAXCQM-UHFFFAOYSA-N
XLogP5.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616440
N-(2,5-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616326
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 18148839
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
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 18228720
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
CID 16616704
2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24639532
(2R)-2-[[2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119368687
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 31071480) is N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YITMLPLSRAXCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2S/c1-10-17(18(24)23-14-4-2-3-13(19)16(14)20)26-15(22-10)9-25-12-7-5-11(21)6-8-12/h2-8H,9H2,1H3,(H,23,24).
What are the key properties of N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 411.29 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 31071480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).