2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole

C12H7F3N4OS2 — CID 91125969

IUPAC2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCOc1nc(-c2ccnc(-c3nc(C(F)(F)F)cs3)n2)cs1
InChIInChI=1S/C12H7F3N4OS2/c1-20-11-18-7(4-22-11)6-2-3-16-9(17-6)10-19-8(5-21-10)12(13,14)15/h2-5H,1H3
InChIKeyQRMSVFMYECILEC-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.75
Rot. Bonds3

About 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole

2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 91125969) has the molecular formula C12H7F3N4OS2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
PubChem CID91125969
Molecular FormulaC12H7F3N4OS2
Molecular Weight344.34 g/mol
Exact Mass344.00
IUPAC Name2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCOc1nc(-c2ccnc(-c3nc(C(F)(F)F)cs3)n2)cs1
InChIInChI=1S/C12H7F3N4OS2/c1-20-11-18-7(4-22-11)6-2-3-16-9(17-6)10-19-8(5-21-10)12(13,14)15/h2-5H,1H3
InChIKeyQRMSVFMYECILEC-UHFFFAOYSA-N
XLogP3.75
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole (CID 91125969) is 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole is COc1nc(-c2ccnc(-c3nc(C(F)(F)F)cs3)n2)cs1.
What is the InChIKey of 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is QRMSVFMYECILEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4OS2/c1-20-11-18-7(4-22-11)6-2-3-16-9(17-6)10-19-8(5-21-10)12(13,14)15/h2-5H,1H3.
What are the key properties of 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole?
2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 344.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 91125969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).