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

C13H12F3N5OS — CID 145049357

IUPAC2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Nc1csc(-c2cnc(N3CCCC3)nc2)n1)C(F)(F)F
InChIInChI=1S/C13H12F3N5OS/c14-13(15,16)11(22)20-9-7-23-10(19-9)8-5-17-12(18-6-8)21-3-1-2-4-21/h5-7H,1-4H2,(H,20,22)
InChIKeyIXHQGGOLZOESPV-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.70
Rot. Bonds3

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

2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 145049357) has the molecular formula C13H12F3N5OS and a molecular weight of 343.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID145049357
Molecular FormulaC13H12F3N5OS
Molecular Weight343.33 g/mol
Exact Mass343.07
IUPAC Name2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Nc1csc(-c2cnc(N3CCCC3)nc2)n1)C(F)(F)F
InChIInChI=1S/C13H12F3N5OS/c14-13(15,16)11(22)20-9-7-23-10(19-9)8-5-17-12(18-6-8)21-3-1-2-4-21/h5-7H,1-4H2,(H,20,22)
InChIKeyIXHQGGOLZOESPV-UHFFFAOYSA-N
XLogP2.70
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea
CID 10133503
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea
CID 10160974
2,2,2-trifluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)acetamide
CID 87914646
(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
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 53164697
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea
CID 91927102
(2S)-2-[1-(2-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide
CID 162615375
1-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]cyclopropane-1-carboxamide
CID 162575115
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide (CID 145049357) is 2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide is O=C(Nc1csc(-c2cnc(N3CCCC3)nc2)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is IXHQGGOLZOESPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5OS/c14-13(15,16)11(22)20-9-7-23-10(19-9)8-5-17-12(18-6-8)21-3-1-2-4-21/h5-7H,1-4H2,(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide?
2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 343.33 g/mol, XLogP of 2.70, 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-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 145049357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).