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

C14H15F3N4OS — CID 50975222

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCc2scnc2C)n1
InChIInChI=1S/C14H15F3N4OS/c1-8-5-11(14(15,16)17)21-12(20-8)6-18-13(22)4-3-10-9(2)19-7-23-10/h5,7H,3-4,6H2,1-2H3,(H,18,22)
InChIKeyOUZADTGFTYHFLL-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.82
Rot. Bonds5

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

3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (PubChem CID 50975222) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
PubChem CID50975222
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCc2scnc2C)n1
InChIInChI=1S/C14H15F3N4OS/c1-8-5-11(14(15,16)17)21-12(20-8)6-18-13(22)4-3-10-9(2)19-7-23-10/h5,7H,3-4,6H2,1-2H3,(H,18,22)
InChIKeyOUZADTGFTYHFLL-UHFFFAOYSA-N
XLogP2.82
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.82
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-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (CID 50975222) is 3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is Cc1cc(C(F)(F)F)nc(CNC(=O)CCc2scnc2C)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The InChIKey is OUZADTGFTYHFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-8-5-11(14(15,16)17)21-12(20-8)6-18-13(22)4-3-10-9(2)19-7-23-10/h5,7H,3-4,6H2,1-2H3,(H,18,22).
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
3-(4-methyl-1,3-thiazol-5-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide has a molecular weight of 344.36 g/mol, XLogP of 2.82, 5 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-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 50975222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).