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

C12H7F3N4S2 — CID 91001661

IUPAC2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1csc(-c2ccnc(-c3nc(C(F)(F)F)cs3)n2)n1
InChIInChI=1S/C12H7F3N4S2/c1-6-4-20-10(17-6)7-2-3-16-9(18-7)11-19-8(5-21-11)12(13,14)15/h2-5H,1H3
InChIKeyOWWLHEKSXVQWRA-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.05
Rot. Bonds2

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

2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 91001661) has the molecular formula C12H7F3N4S2 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID91001661
Molecular FormulaC12H7F3N4S2
Molecular Weight328.34 g/mol
Exact Mass328.01
IUPAC Name2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1csc(-c2ccnc(-c3nc(C(F)(F)F)cs3)n2)n1
InChIInChI=1S/C12H7F3N4S2/c1-6-4-20-10(17-6)7-2-3-16-9(18-7)11-19-8(5-21-11)12(13,14)15/h2-5H,1H3
InChIKeyOWWLHEKSXVQWRA-UHFFFAOYSA-N
XLogP4.05
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 91001661) is 2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1csc(-c2ccnc(-c3nc(C(F)(F)F)cs3)n2)n1.
What is the InChIKey of 2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OWWLHEKSXVQWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S2/c1-6-4-20-10(17-6)7-2-3-16-9(18-7)11-19-8(5-21-11)12(13,14)15/h2-5H,1H3.
What are the key properties of 2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 328.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 91001661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).