N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C14H14F3N5O2S — CID 87025474

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C14H14F3N5O2S/c1-21(2)10(23)6-22(8-14(15,16)17)13(24)9-7-25-12(20-9)11-18-4-3-5-19-11/h3-5,7H,6,8H2,1-2H3
InChIKeyQOFPXIIVBPGUIX-UHFFFAOYSA-N
MW373.36 g/mol
LogP1.69
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 87025474) has the molecular formula C14H14F3N5O2S and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID87025474
Molecular FormulaC14H14F3N5O2S
Molecular Weight373.36 g/mol
Exact Mass373.08
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C14H14F3N5O2S/c1-21(2)10(23)6-22(8-14(15,16)17)13(24)9-7-25-12(20-9)11-18-4-3-5-19-11/h3-5,7H,6,8H2,1-2H3
InChIKeyQOFPXIIVBPGUIX-UHFFFAOYSA-N
XLogP1.69
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 87025474) is N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1csc(-c2ncccn2)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QOFPXIIVBPGUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2S/c1-21(2)10(23)6-22(8-14(15,16)17)13(24)9-7-25-12(20-9)11-18-4-3-5-19-11/h3-5,7H,6,8H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87025474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).