7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H9F6N3OS — CID 2490141

IUPAC7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2sccn12
InChIInChI=1S/C15H9F6N3OS/c16-14(17,18)8-3-9(15(19,20)21)5-10(4-8)22-7-11-6-12(25)24-1-2-26-13(24)23-11/h1-6,22H,7H2
InChIKeyGFZAWZYZDYLODL-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.41
Rot. Bonds3

About 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2490141) has the molecular formula C15H9F6N3OS and a molecular weight of 393.31 g/mol. Its IUPAC name is 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2490141
Molecular FormulaC15H9F6N3OS
Molecular Weight393.31 g/mol
Exact Mass393.04
IUPAC Name7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2sccn12
InChIInChI=1S/C15H9F6N3OS/c16-14(17,18)8-3-9(15(19,20)21)5-10(4-8)22-7-11-6-12(25)24-1-2-26-13(24)23-11/h1-6,22H,7H2
InChIKeyGFZAWZYZDYLODL-UHFFFAOYSA-N
XLogP4.41
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2490141) is 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2sccn12.
What is the InChIKey of 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GFZAWZYZDYLODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3OS/c16-14(17,18)8-3-9(15(19,20)21)5-10(4-8)22-7-11-6-12(25)24-1-2-26-13(24)23-11/h1-6,22H,7H2.
What are the key properties of 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 393.31 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3,5-bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2490141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).