N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide

C20H19FN2O2S — CID 42865769

IUPACN-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C20H19FN2O2S/c1-3-23(2)20(24)18-13-26-19(22-18)14-8-10-16(11-9-14)25-12-15-6-4-5-7-17(15)21/h4-11,13H,3,12H2,1-2H3
InChIKeyKGQLRAWJHPJUJM-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.62
Rot. Bonds6

About N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide

N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 42865769) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID42865769
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C20H19FN2O2S/c1-3-23(2)20(24)18-13-26-19(22-18)14-8-10-16(11-9-14)25-12-15-6-4-5-7-17(15)21/h4-11,13H,3,12H2,1-2H3
InChIKeyKGQLRAWJHPJUJM-UHFFFAOYSA-N
XLogP4.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46065907
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067894
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067855
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 42866055
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46066284
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065628
N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066895
N-ethyl-N-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066531
N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065626
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 42865769) is N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide is CCN(C)C(=O)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1.
What is the InChIKey of N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KGQLRAWJHPJUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-3-23(2)20(24)18-13-26-19(22-18)14-8-10-16(11-9-14)25-12-15-6-4-5-7-17(15)21/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).