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

C12H12F3N5S — CID 118961106

IUPAC2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(N3CCCC3C(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
InChIKeyXOQJXHRWRBIIFX-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.71
Rot. Bonds2

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

2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine (PubChem CID 118961106) has the molecular formula C12H12F3N5S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine
PubChem CID118961106
Molecular FormulaC12H12F3N5S
Molecular Weight315.32 g/mol
Exact Mass315.08
IUPAC Name2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(N3CCCC3C(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
InChIKeyXOQJXHRWRBIIFX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine (CID 118961106) is 2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine is Nc1csc(-c2cnc(N3CCCC3C(F)(F)F)nc2)n1.
What is the InChIKey of 2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine?
The InChIKey is XOQJXHRWRBIIFX-UHFFFAOYSA-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.
What are the key properties of 2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine?
2-[2-[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-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 118961106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).