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

C22H22FN3O2S — CID 56512666

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C22H22FN3O2S/c1-4-26(13-15-9-11-16(12-10-15)21(27)25(2)3)22(28)19-14-29-20(24-19)17-7-5-6-8-18(17)23/h5-12,14H,4,13H2,1-3H3
InChIKeyBRAIMZYSJFFHMK-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.31
Rot. Bonds6

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

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 56512666) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID56512666
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C22H22FN3O2S/c1-4-26(13-15-9-11-16(12-10-15)21(27)25(2)3)22(28)19-14-29-20(24-19)17-7-5-6-8-18(17)23/h5-12,14H,4,13H2,1-3H3
InChIKeyBRAIMZYSJFFHMK-UHFFFAOYSA-N
XLogP4.31
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119656374
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066895
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 56511813
N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 167914091
N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46067142
2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 95977103
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 47078287
N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84556290
2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 120630074
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191537

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 56512666) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BRAIMZYSJFFHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-4-26(13-15-9-11-16(12-10-15)21(27)25(2)3)22(28)19-14-29-20(24-19)17-7-5-6-8-18(17)23/h5-12,14H,4,13H2,1-3H3.
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56512666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).