2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

C21H20F2N2O2S — CID 46067894

IUPAC2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1
InChIInChI=1S/C21H20F2N2O2S/c1-13(2)25(3)21(26)19-12-28-20(24-19)14-5-8-17(9-6-14)27-11-15-4-7-16(22)10-18(15)23/h4-10,12-13H,11H2,1-3H3
InChIKeyUJGSYDAEHUVMRL-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.15
Rot. Bonds6

About 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46067894) has the molecular formula C21H20F2N2O2S and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46067894
Molecular FormulaC21H20F2N2O2S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1
InChIInChI=1S/C21H20F2N2O2S/c1-13(2)25(3)21(26)19-12-28-20(24-19)14-5-8-17(9-6-14)27-11-15-4-7-16(22)10-18(15)23/h4-10,12-13H,11H2,1-3H3
InChIKeyUJGSYDAEHUVMRL-UHFFFAOYSA-N
XLogP5.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46065831
2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068064
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067949
N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865769
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
N-methyl-2-[3-[(3-methylphenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068053
2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865953
2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068237
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068245
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38226165
2-(3-methoxy-4-propoxyphenyl)-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068006
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46067894) is 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(C)C(=O)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UJGSYDAEHUVMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2S/c1-13(2)25(3)21(26)19-12-28-20(24-19)14-5-8-17(9-6-14)27-11-15-4-7-16(22)10-18(15)23/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).