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

C15H17F3N4OS — CID 50952085

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cs1
InChIInChI=1S/C15H17F3N4OS/c1-3-4-13-21-10(8-24-13)14(23)19-6-5-12-20-9(2)7-11(22-12)15(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,23)
InChIKeyBYBVWGKAWIZEOY-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.19
Rot. Bonds6

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

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 50952085) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID50952085
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cs1
InChIInChI=1S/C15H17F3N4OS/c1-3-4-13-21-10(8-24-13)14(23)19-6-5-12-20-9(2)7-11(22-12)15(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,23)
InChIKeyBYBVWGKAWIZEOY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 50952085) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cs1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is BYBVWGKAWIZEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-3-4-13-21-10(8-24-13)14(23)19-6-5-12-20-9(2)7-11(22-12)15(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50952085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).