4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

C15H17F3N4OS — CID 72907903

IUPAC4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)c2sc(C(C)C)nc2C)n1
InChIInChI=1S/C15H17F3N4OS/c1-7(2)14-21-9(4)12(24-14)13(23)19-6-11-20-8(3)5-10(22-11)15(16,17)18/h5,7H,6H2,1-4H3,(H,19,23)
InChIKeyIKQJTTVRYDPDEL-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.62
Rot. Bonds4

About 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 72907903) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID72907903
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)c2sc(C(C)C)nc2C)n1
InChIInChI=1S/C15H17F3N4OS/c1-7(2)14-21-9(4)12(24-14)13(23)19-6-11-20-8(3)5-10(22-11)15(16,17)18/h5,7H,6H2,1-4H3,(H,19,23)
InChIKeyIKQJTTVRYDPDEL-UHFFFAOYSA-N
XLogP3.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 72907903) is 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1cc(C(F)(F)F)nc(CNC(=O)c2sc(C(C)C)nc2C)n1.
What is the InChIKey of 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IKQJTTVRYDPDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-7(2)14-21-9(4)12(24-14)13(23)19-6-11-20-8(3)5-10(22-11)15(16,17)18/h5,7H,6H2,1-4H3,(H,19,23).
What are the key properties of 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72907903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).