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

C12H12F3N5S — CID 118961240

IUPAC2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(N3CCC[C@@H]3C(F)(F)F)nc2)n1
InChIInChI=1S/C12H12F3N5S/c13-12(14,15)8-2-1-3-20(8)11-17-4-7(5-18-11)10-19-9(16)6-21-10/h4-6,8H,1-3,16H2/t8-/m1/s1
InChIKeyXOQJXHRWRBIIFX-MRVPVSSYSA-N
MW315.32 g/mol
LogP2.71
Rot. Bonds2

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

2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine (PubChem CID 118961240) has the molecular formula C12H12F3N5S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine
PubChem CID118961240
Molecular FormulaC12H12F3N5S
Molecular Weight315.32 g/mol
Exact Mass315.08
IUPAC Name2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(N3CCC[C@@H]3C(F)(F)F)nc2)n1
InChIInChI=1S/C12H12F3N5S/c13-12(14,15)8-2-1-3-20(8)11-17-4-7(5-18-11)10-19-9(16)6-21-10/h4-6,8H,1-3,16H2/t8-/m1/s1
InChIKeyXOQJXHRWRBIIFX-MRVPVSSYSA-N
XLogP2.71
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Methylpyrrolidin-1-yl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidine
CID 16662936
2-Methyl-5-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]pyrimidin-4-amine
CID 12513498
2-Methyl-4-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole
CID 16662414
N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine
CID 16663069
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-(Trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine
CID 118961156
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
2,2,2-trifluoro-N-[2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
CID 118961232

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine (CID 118961240) is 2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine is Nc1csc(-c2cnc(N3CCC[C@@H]3C(F)(F)F)nc2)n1.
What is the InChIKey of 2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine?
The InChIKey is XOQJXHRWRBIIFX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12F3N5S/c13-12(14,15)8-2-1-3-20(8)11-17-4-7(5-18-11)10-19-9(16)6-21-10/h4-6,8H,1-3,16H2/t8-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine?
2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine has a molecular weight of 315.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 118961240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).