1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C16H14ClF3N4O3S — CID 55760566

IUPAC1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C16H14ClF3N4O3S/c17-10-6-9(7-22-13(10)27-8-16(18,19)20)14(26)24-4-1-2-11(24)12(25)23-15-21-3-5-28-15/h3,5-7,11H,1-2,4,8H2,(H,21,23,25)
InChIKeyOURILXHHRGXPDQ-UHFFFAOYSA-N
MW434.83 g/mol
LogP3.38
Rot. Bonds5

About 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 55760566) has the molecular formula C16H14ClF3N4O3S and a molecular weight of 434.83 g/mol. Its IUPAC name is 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID55760566
Molecular FormulaC16H14ClF3N4O3S
Molecular Weight434.83 g/mol
Exact Mass434.04
IUPAC Name1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C16H14ClF3N4O3S/c17-10-6-9(7-22-13(10)27-8-16(18,19)20)14(26)24-4-1-2-11(24)12(25)23-15-21-3-5-28-15/h3,5-7,11H,1-2,4,8H2,(H,21,23,25)
InChIKeyOURILXHHRGXPDQ-UHFFFAOYSA-N
XLogP3.38
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.83
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(3-ethoxybenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94604846
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 154748675
1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55597555
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-[4-(2-methylpropanoylamino)benzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55669534
1-(2-bromo-5-chlorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78865044
1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576503
(2R)-1-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 169002572
(2S)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935113
(2R)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935112
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 55760566) is 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)C1CCCN1C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is OURILXHHRGXPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O3S/c17-10-6-9(7-22-13(10)27-8-16(18,19)20)14(26)24-4-1-2-11(24)12(25)23-15-21-3-5-28-15/h3,5-7,11H,1-2,4,8H2,(H,21,23,25).
What are the key properties of 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 434.83 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55760566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).