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

C20H20FN3OS — CID 110389314

IUPACN-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCc2ccccn2)sc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C20H20FN3OS/c1-14-19(20(25)23-13-11-15-6-2-3-8-17(15)21)26-18(24-14)10-9-16-7-4-5-12-22-16/h2-8,12H,9-11,13H2,1H3,(H,23,25)
InChIKeyCBJJHKUGHHHFMI-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.74
Rot. Bonds7

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

N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110389314) has the molecular formula C20H20FN3OS and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110389314
Molecular FormulaC20H20FN3OS
Molecular Weight369.46 g/mol
Exact Mass369.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCc2ccccn2)sc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C20H20FN3OS/c1-14-19(20(25)23-13-11-15-6-2-3-8-17(15)21)26-18(24-14)10-9-16-7-4-5-12-22-16/h2-8,12H,9-11,13H2,1H3,(H,23,25)
InChIKeyCBJJHKUGHHHFMI-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389324
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389335
4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389297
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389332
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
N,4-dimethyl-N-phenyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389345
2-benzyl-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084154
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 53200014
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329182
4-methyl-2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 154570012

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 110389314) is N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CCc2ccccn2)sc1C(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CBJJHKUGHHHFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-14-19(20(25)23-13-11-15-6-2-3-8-17(15)21)26-18(24-14)10-9-16-7-4-5-12-22-16/h2-8,12H,9-11,13H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110389314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).