2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C15H10F3N5OS — CID 90643544

IUPAC2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)8-4-2-1-3-7(8)10-11(12(19)24)25-13(23-10)9-5-6-21-14(20)22-9/h1-6H,(H2,19,24)(H2,20,21,22)
InChIKeyTVWGRFWTJOWJTO-UHFFFAOYSA-N
MW365.34 g/mol
LogP2.97
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 90643544) has the molecular formula C15H10F3N5OS and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID90643544
Molecular FormulaC15H10F3N5OS
Molecular Weight365.34 g/mol
Exact Mass365.06
IUPAC Name2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)8-4-2-1-3-7(8)10-11(12(19)24)25-13(23-10)9-5-6-21-14(20)22-9/h1-6H,(H2,19,24)(H2,20,21,22)
InChIKeyTVWGRFWTJOWJTO-UHFFFAOYSA-N
XLogP2.97
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 90643544) is 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is TVWGRFWTJOWJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5OS/c16-15(17,18)8-4-2-1-3-7(8)10-11(12(19)24)25-13(23-10)9-5-6-21-14(20)22-9/h1-6H,(H2,19,24)(H2,20,21,22).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90643544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).