(2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide

C19H17F3N4OS — CID 139355607

IUPAC(2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(C(F)(F)F)cc2s1
InChIInChI=1S/C19H17F3N4OS/c20-19(21,22)13-9-15-16(23-11-13)25-18(28-15)26-8-4-7-14(26)17(27)24-10-12-5-2-1-3-6-12/h1-3,5-6,9,11,14H,4,7-8,10H2,(H,24,27)/t14-/m1/s1
InChIKeyOJHFPGGYWBMFTD-CQSZACIVSA-N
MW406.43 g/mol
LogP4.00
Rot. Bonds4

About (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide

(2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 139355607) has the molecular formula C19H17F3N4OS and a molecular weight of 406.43 g/mol. Its IUPAC name is (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
PubChem CID139355607
Molecular FormulaC19H17F3N4OS
Molecular Weight406.43 g/mol
Exact Mass406.11
IUPAC Name(2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(C(F)(F)F)cc2s1
InChIInChI=1S/C19H17F3N4OS/c20-19(21,22)13-9-15-16(23-11-13)25-18(28-15)26-8-4-7-14(26)17(27)24-10-12-5-2-1-3-6-12/h1-3,5-6,9,11,14H,4,7-8,10H2,(H,24,27)/t14-/m1/s1
InChIKeyOJHFPGGYWBMFTD-CQSZACIVSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 25093459
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CID 59251991
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (CID 139355607) is (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(C(F)(F)F)cc2s1.
What is the InChIKey of (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is OJHFPGGYWBMFTD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17F3N4OS/c20-19(21,22)13-9-15-16(23-11-13)25-18(28-15)26-8-4-7-14(26)17(27)24-10-12-5-2-1-3-6-12/h1-3,5-6,9,11,14H,4,7-8,10H2,(H,24,27)/t14-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139355607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).