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

C15H17F3N4OS — CID 70747348

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)CCc2scnc2C)n1
InChIInChI=1S/C15H17F3N4OS/c1-9-7-12(15(16,17)18)22-13(21-9)5-6-19-14(23)4-3-11-10(2)20-8-24-11/h7-8H,3-6H2,1-2H3,(H,19,23)
InChIKeyQTMAYFOZKJJIQF-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.86
Rot. Bonds6

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

3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide (PubChem CID 70747348) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide
PubChem CID70747348
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)CCc2scnc2C)n1
InChIInChI=1S/C15H17F3N4OS/c1-9-7-12(15(16,17)18)22-13(21-9)5-6-19-14(23)4-3-11-10(2)20-8-24-11/h7-8H,3-6H2,1-2H3,(H,19,23)
InChIKeyQTMAYFOZKJJIQF-UHFFFAOYSA-N
XLogP2.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide (CID 70747348) is 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)CCc2scnc2C)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
The InChIKey is QTMAYFOZKJJIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-9-7-12(15(16,17)18)22-13(21-9)5-6-19-14(23)4-3-11-10(2)20-8-24-11/h7-8H,3-6H2,1-2H3,(H,19,23).
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide has a molecular weight of 358.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide is sourced from PubChem (CID 70747348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).