N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

C21H21FN2O2S — CID 46067142

IUPACN-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCCOc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)c(F)c1
InChIInChI=1S/C21H21FN2O2S/c1-3-11-26-16-9-10-17(18(22)12-16)20-23-19(14-27-20)21(25)24(2)13-15-7-5-4-6-8-15/h4-10,12,14H,3,11,13H2,1-2H3
InChIKeyXGRNUOWYWDNRCH-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.01
Rot. Bonds7

About N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 46067142) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID46067142
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCCOc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)c(F)c1
InChIInChI=1S/C21H21FN2O2S/c1-3-11-26-16-9-10-17(18(22)12-16)20-23-19(14-27-20)21(25)24(2)13-15-7-5-4-6-8-15/h4-10,12,14H,3,11,13H2,1-2H3
InChIKeyXGRNUOWYWDNRCH-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,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066895
N-benzyl-2-[2-[(3,5-difluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46067384
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46067140
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825
N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865769
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066956
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 46066941
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 56512666

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 46067142) is N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is CCCOc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)c(F)c1.
What is the InChIKey of N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is XGRNUOWYWDNRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-3-11-26-16-9-10-17(18(22)12-16)20-23-19(14-27-20)21(25)24(2)13-15-7-5-4-6-8-15/h4-10,12,14H,3,11,13H2,1-2H3.
What are the key properties of N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-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-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).