2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C11H9F3N4OS2 — CID 1255929

IUPAC2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2nccs2)n1
InChIInChI=1S/C11H9F3N4OS2/c1-6-4-7(11(12,13)14)17-10(16-6)21-5-8(19)18-9-15-2-3-20-9/h2-4H,5H2,1H3,(H,15,18,19)
InChIKeyZPMFEBACYHQTHS-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.99
Rot. Bonds4

About 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1255929) has the molecular formula C11H9F3N4OS2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1255929
Molecular FormulaC11H9F3N4OS2
Molecular Weight334.35 g/mol
Exact Mass334.02
IUPAC Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2nccs2)n1
InChIInChI=1S/C11H9F3N4OS2/c1-6-4-7(11(12,13)14)17-10(16-6)21-5-8(19)18-9-15-2-3-20-9/h2-4H,5H2,1H3,(H,15,18,19)
InChIKeyZPMFEBACYHQTHS-UHFFFAOYSA-N
XLogP2.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 1255929) is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2nccs2)n1.
What is the InChIKey of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZPMFEBACYHQTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4OS2/c1-6-4-7(11(12,13)14)17-10(16-6)21-5-8(19)18-9-15-2-3-20-9/h2-4H,5H2,1H3,(H,15,18,19).
What are the key properties of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1255929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).