4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C13H12F3N5O2S — CID 55920951

IUPAC4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H12F3N5O2S/c1-7-9(24-12(21-7)10-17-3-2-4-18-10)11(23)19-5-8(22)20-6-13(14,15)16/h2-4H,5-6H2,1H3,(H,19,23)(H,20,22)
InChIKeyBVOWRDKUOXCPFT-UHFFFAOYSA-N
MW359.33 g/mol
LogP1.32
Rot. Bonds5

About 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55920951) has the molecular formula C13H12F3N5O2S and a molecular weight of 359.33 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55920951
Molecular FormulaC13H12F3N5O2S
Molecular Weight359.33 g/mol
Exact Mass359.07
IUPAC Name4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H12F3N5O2S/c1-7-9(24-12(21-7)10-17-3-2-4-18-10)11(23)19-5-8(22)20-6-13(14,15)16/h2-4H,5-6H2,1H3,(H,19,23)(H,20,22)
InChIKeyBVOWRDKUOXCPFT-UHFFFAOYSA-N
XLogP1.32
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 55920951) is 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BVOWRDKUOXCPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2S/c1-7-9(24-12(21-7)10-17-3-2-4-18-10)11(23)19-5-8(22)20-6-13(14,15)16/h2-4H,5-6H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55920951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).