N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

C19H15F3N4O2S — CID 46113889

IUPACN-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCc2cccnc2)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O2S/c20-19(21,22)14-5-1-4-13(9-14)16(27)26-18-25-15(11-29-18)17(28)24-8-6-12-3-2-7-23-10-12/h1-5,7,9-11H,6,8H2,(H,24,28)(H,25,26,27)
InChIKeyBEEFKPXYTMFYKT-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.78
Rot. Bonds6

About N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 46113889) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID46113889
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC NameN-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCc2cccnc2)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O2S/c20-19(21,22)14-5-1-4-13(9-14)16(27)26-18-25-15(11-29-18)17(28)24-8-6-12-3-2-7-23-10-12/h1-5,7,9-11H,6,8H2,(H,24,28)(H,25,26,27)
InChIKeyBEEFKPXYTMFYKT-UHFFFAOYSA-N
XLogP3.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113871
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113866
N-methyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113897
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 46113857
5-methyl-N-(2-pyridin-3-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30768894
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 46113889) is N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)NCCc2cccnc2)cs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is BEEFKPXYTMFYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c20-19(21,22)14-5-1-4-13(9-14)16(27)26-18-25-15(11-29-18)17(28)24-8-6-12-3-2-7-23-10-12/h1-5,7,9-11H,6,8H2,(H,24,28)(H,25,26,27).
What are the key properties of N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).