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

C12H8F3N5S — CID 90885050

IUPAC2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1ccnc1-c1ccnc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H8F3N5S/c1-20-5-4-17-10(20)7-2-3-16-9(18-7)11-19-8(6-21-11)12(13,14)15/h2-6H,1H3
InChIKeyOADAPOHISVETMI-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.02
Rot. Bonds2

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

2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 90885050) has the molecular formula C12H8F3N5S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID90885050
Molecular FormulaC12H8F3N5S
Molecular Weight311.29 g/mol
Exact Mass311.05
IUPAC Name2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1ccnc1-c1ccnc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H8F3N5S/c1-20-5-4-17-10(20)7-2-3-16-9(18-7)11-19-8(6-21-11)12(13,14)15/h2-6H,1H3
InChIKeyOADAPOHISVETMI-UHFFFAOYSA-N
XLogP3.02
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 90885050) is 2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is Cn1ccnc1-c1ccnc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OADAPOHISVETMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5S/c1-20-5-4-17-10(20)7-2-3-16-9(18-7)11-19-8(6-21-11)12(13,14)15/h2-6H,1H3.
What are the key properties of 2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 311.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 90885050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).