2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide

C14H11F6N5OS — CID 118961232

IUPAC2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Nc1csc(-c2cnc(N3CCC[C@@H]3C(F)(F)F)nc2)n1)C(F)(F)F
InChIInChI=1S/C14H11F6N5OS/c15-13(16,17)8-2-1-3-25(8)12-21-4-7(5-22-12)10-23-9(6-27-10)24-11(26)14(18,19)20/h4-6,8H,1-3H2,(H,24,26)/t8-/m1/s1
InChIKeyZHYZKXVQCOXULG-MRVPVSSYSA-N
MW411.33 g/mol
LogP3.63
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide

2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide (PubChem CID 118961232) has the molecular formula C14H11F6N5OS and a molecular weight of 411.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
PubChem CID118961232
Molecular FormulaC14H11F6N5OS
Molecular Weight411.33 g/mol
Exact Mass411.06
IUPAC Name2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Nc1csc(-c2cnc(N3CCC[C@@H]3C(F)(F)F)nc2)n1)C(F)(F)F
InChIInChI=1S/C14H11F6N5OS/c15-13(16,17)8-2-1-3-25(8)12-21-4-7(5-22-12)10-23-9(6-27-10)24-11(26)14(18,19)20/h4-6,8H,1-3H2,(H,24,26)/t8-/m1/s1
InChIKeyZHYZKXVQCOXULG-MRVPVSSYSA-N
XLogP3.63
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)-4,5-dihydropurin-7-yl]-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide
CID 139269310
(2S)-2-[1-(cyanomethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide
CID 139269320
(2S)-2-(1-but-2-ynyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide
CID 139269443
(2S)-2-(1-but-2-ynyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide
CID 139269534
(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)-4,5-dihydropurin-7-yl]-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide
CID 139269308
(2S)-2-[1-(cyanomethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide
CID 139269342
2-[2-(6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine
CID 118961017
2,2,2-trifluoro-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
CID 118961046
2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine
CID 118961104
2-[2-[2-(Trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine
CID 118961106
2,2,2-trifluoro-N-[2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
CID 118961169
N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide
CID 118961231

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide (CID 118961232) is 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide is O=C(Nc1csc(-c2cnc(N3CCC[C@@H]3C(F)(F)F)nc2)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is ZHYZKXVQCOXULG-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11F6N5OS/c15-13(16,17)8-2-1-3-25(8)12-21-4-7(5-22-12)10-23-9(6-27-10)24-11(26)14(18,19)20/h4-6,8H,1-3H2,(H,24,26)/t8-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 411.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 118961232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).