2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide

C20H20FN3OS — CID 24552841

IUPAC2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C20H20FN3OS/c1-14-18(26-20(23-14)15-8-10-16(21)11-9-15)19(25)22-12-13-24(2)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyCGFIOALLIFXXCW-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.12
Rot. Bonds6

About 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 24552841) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID24552841
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C20H20FN3OS/c1-14-18(26-20(23-14)15-8-10-16(21)11-9-15)19(25)22-12-13-24(2)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyCGFIOALLIFXXCW-UHFFFAOYSA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-(N-methylanilino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 27746890
2-(3,4-dimethoxyphenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24655097
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510
2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788207
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42536427
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278
2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 46440106
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 75435366

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide (CID 24552841) is 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CGFIOALLIFXXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-14-18(26-20(23-14)15-8-10-16(21)11-9-15)19(25)22-12-13-24(2)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24552841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).