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

C14H14F3N5OS — CID 130464431

IUPAC2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
SMILESC[C@@H]1CCCN1c1ncc(-c2nc(NC(=O)C(F)(F)F)cs2)cn1
InChIInChI=1S/C14H14F3N5OS/c1-8-3-2-4-22(8)13-18-5-9(6-19-13)11-20-10(7-24-11)21-12(23)14(15,16)17/h5-8H,2-4H2,1H3,(H,21,23)/t8-/m1/s1
InChIKeyQDSSRRVWYKQXCT-MRVPVSSYSA-N
MW357.36 g/mol
LogP3.09
Rot. Bonds3

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

2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide (PubChem CID 130464431) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
PubChem CID130464431
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
SMILESC[C@@H]1CCCN1c1ncc(-c2nc(NC(=O)C(F)(F)F)cs2)cn1
InChIInChI=1S/C14H14F3N5OS/c1-8-3-2-4-22(8)13-18-5-9(6-19-13)11-20-10(7-24-11)21-12(23)14(15,16)17/h5-8H,2-4H2,1H3,(H,21,23)/t8-/m1/s1
InChIKeyQDSSRRVWYKQXCT-MRVPVSSYSA-N
XLogP3.09
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropurin-7-yl]propanamide
CID 139269393
(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropurin-7-yl]propanamide
CID 139269394
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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide (CID 130464431) is 2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-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-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide is C[C@@H]1CCCN1c1ncc(-c2nc(NC(=O)C(F)(F)F)cs2)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is QDSSRRVWYKQXCT-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-8-3-2-4-22(8)13-18-5-9(6-19-13)11-20-10(7-24-11)21-12(23)14(15,16)17/h5-8H,2-4H2,1H3,(H,21,23)/t8-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 357.36 g/mol, XLogP of 3.09, 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-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 130464431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).