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

C21H20Cl2N2O2S — CID 46068245

IUPAC2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1csc(-c2ccccc2OCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C21H20Cl2N2O2S/c1-13(2)25(3)21(26)18-12-28-20(24-18)16-6-4-5-7-19(16)27-11-14-8-9-15(22)10-17(14)23/h4-10,12-13H,11H2,1-3H3
InChIKeyDDMAQWZICZKOGL-UHFFFAOYSA-N
MW435.38 g/mol
LogP6.18
Rot. Bonds6

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

2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46068245) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46068245
Molecular FormulaC21H20Cl2N2O2S
Molecular Weight435.38 g/mol
Exact Mass434.06
IUPAC Name2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1csc(-c2ccccc2OCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C21H20Cl2N2O2S/c1-13(2)25(3)21(26)18-12-28-20(24-18)16-6-4-5-7-19(16)27-11-14-8-9-15(22)10-17(14)23/h4-10,12-13H,11H2,1-3H3
InChIKeyDDMAQWZICZKOGL-UHFFFAOYSA-N
XLogP6.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068237
2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42867054
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46067362
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067894
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
2-[2-[(3-chlorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42866356
2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46165312
2-(3-methoxy-4-propoxyphenyl)-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068006
N-benzyl-2-[2-[(3,5-difluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46067384
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2594087
N-methyl-2-[3-[(3-methylphenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068053
N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94829447

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46068245) is 2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(C)C(=O)c1csc(-c2ccccc2OCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DDMAQWZICZKOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c1-13(2)25(3)21(26)18-12-28-20(24-18)16-6-4-5-7-19(16)27-11-14-8-9-15(22)10-17(14)23/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46068245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).