2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

C14H7F6N3S2 — CID 90943264

IUPAC2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2ccc(C(F)(F)F)s2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C14H7F6N3S2/c1-6-4-7(8-2-3-10(25-8)14(18,19)20)22-11(21-6)12-23-9(5-24-12)13(15,16)17/h2-5H,1H3
InChIKeyLAQDFODMWGMPIL-UHFFFAOYSA-N
MW395.35 g/mol
LogP5.67
Rot. Bonds2

About 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 90943264) has the molecular formula C14H7F6N3S2 and a molecular weight of 395.35 g/mol. Its IUPAC name is 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID90943264
Molecular FormulaC14H7F6N3S2
Molecular Weight395.35 g/mol
Exact Mass395.00
IUPAC Name2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2ccc(C(F)(F)F)s2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C14H7F6N3S2/c1-6-4-7(8-2-3-10(25-8)14(18,19)20)22-11(21-6)12-23-9(5-24-12)13(15,16)17/h2-5H,1H3
InChIKeyLAQDFODMWGMPIL-UHFFFAOYSA-N
XLogP5.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.35
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 90943264) is 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cc(-c2ccc(C(F)(F)F)s2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is LAQDFODMWGMPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3S2/c1-6-4-7(8-2-3-10(25-8)14(18,19)20)22-11(21-6)12-23-9(5-24-12)13(15,16)17/h2-5H,1H3.
What are the key properties of 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 395.35 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 90943264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).