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

C11H9F3N4OS2 — CID 18158544

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1csc(NC(=O)CSc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H9F3N4OS2/c1-6-4-20-10(16-6)18-8(19)5-21-9-15-3-2-7(17-9)11(12,13)14/h2-4H,5H2,1H3,(H,16,18,19)
InChIKeyOOEXEYQRUMABQM-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.99
Rot. Bonds4

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

N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 18158544) has the molecular formula C11H9F3N4OS2 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID18158544
Molecular FormulaC11H9F3N4OS2
Molecular Weight334.35 g/mol
Exact Mass334.02
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1csc(NC(=O)CSc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H9F3N4OS2/c1-6-4-20-10(16-6)18-8(19)5-21-9-15-3-2-7(17-9)11(12,13)14/h2-4H,5H2,1H3,(H,16,18,19)
InChIKeyOOEXEYQRUMABQM-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 N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 18158544) is N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1csc(NC(=O)CSc2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is OOEXEYQRUMABQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4OS2/c1-6-4-20-10(16-6)18-8(19)5-21-9-15-3-2-7(17-9)11(12,13)14/h2-4H,5H2,1H3,(H,16,18,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide 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 N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18158544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).