N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide

C21H21FN2O2S — CID 46066895

IUPACN,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(-c2ccc(OCc3ccccc3)cc2F)n1
InChIInChI=1S/C21H21FN2O2S/c1-3-24(4-2)21(25)19-14-27-20(23-19)17-11-10-16(12-18(17)22)26-13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3
InChIKeyNIIYYPUXONNYGV-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.01
Rot. Bonds7

About N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide

N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066895) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46066895
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(-c2ccc(OCc3ccccc3)cc2F)n1
InChIInChI=1S/C21H21FN2O2S/c1-3-24(4-2)21(25)19-14-27-20(23-19)17-11-10-16(12-18(17)22)26-13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3
InChIKeyNIIYYPUXONNYGV-UHFFFAOYSA-N
XLogP5.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46066950
N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46067142
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066956
N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065626
2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 46066941
N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865769
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285345
2-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066918
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066945
N-cyclopropyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066959
2-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 46067033

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46066895) is N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccccc3)cc2F)n1.
What is the InChIKey of N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NIIYYPUXONNYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-3-24(4-2)21(25)19-14-27-20(23-19)17-11-10-16(12-18(17)22)26-13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).