N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

C21H20F2N2O4S — CID 27781154

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)cs2)cc1
InChIInChI=1S/C21H20F2N2O4S/c1-25(11-13-4-9-17(29-21(22)23)18(10-13)28-3)20(26)16-12-30-19(24-16)14-5-7-15(27-2)8-6-14/h4-10,12,21H,11H2,1-3H3
InChIKeyZVCMDKDUPQUFNS-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.70
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 27781154) has the molecular formula C21H20F2N2O4S and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID27781154
Molecular FormulaC21H20F2N2O4S
Molecular Weight434.46 g/mol
Exact Mass434.11
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)cs2)cc1
InChIInChI=1S/C21H20F2N2O4S/c1-25(11-13-4-9-17(29-21(22)23)18(10-13)28-3)20(26)16-12-30-19(24-16)14-5-7-15(27-2)8-6-14/h4-10,12,21H,11H2,1-3H3
InChIKeyZVCMDKDUPQUFNS-UHFFFAOYSA-N
XLogP4.70
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 35492892
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 84600803
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,4-dimethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818369
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 43072331
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46564945
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9104719
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 29416576
2-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 9488367

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 27781154) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)cs2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZVCMDKDUPQUFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O4S/c1-25(11-13-4-9-17(29-21(22)23)18(10-13)28-3)20(26)16-12-30-19(24-16)14-5-7-15(27-2)8-6-14/h4-10,12,21H,11H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27781154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).