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

C12H8F3N5S2 — CID 70843532

IUPAC6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCc1cnc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)s1
InChIInChI=1S/C12H8F3N5S2/c1-5-3-17-10(22-5)6-2-8(16)20-9(18-6)11-19-7(4-21-11)12(13,14)15/h2-4H,1H3,(H2,16,18,20)
InChIKeyCGQDPYKQAPNUJL-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.63
Rot. Bonds2

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

6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 70843532) has the molecular formula C12H8F3N5S2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID70843532
Molecular FormulaC12H8F3N5S2
Molecular Weight343.36 g/mol
Exact Mass343.02
IUPAC Name6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCc1cnc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)s1
InChIInChI=1S/C12H8F3N5S2/c1-5-3-17-10(22-5)6-2-8(16)20-9(18-6)11-19-7(4-21-11)12(13,14)15/h2-4H,1H3,(H2,16,18,20)
InChIKeyCGQDPYKQAPNUJL-UHFFFAOYSA-N
XLogP3.63
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 70843532) is 6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is Cc1cnc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)s1.
What is the InChIKey of 6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is CGQDPYKQAPNUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5S2/c1-5-3-17-10(22-5)6-2-8(16)20-9(18-6)11-19-7(4-21-11)12(13,14)15/h2-4H,1H3,(H2,16,18,20).
What are the key properties of 6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 343.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 70843532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).