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

C14H15F3N4OS — CID 72861628

IUPACN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)cs1
InChIInChI=1S/C14H15F3N4OS/c1-3-4-12-20-9(7-23-12)13(22)18-6-11-19-8(2)5-10(21-11)14(15,16)17/h5,7H,3-4,6H2,1-2H3,(H,18,22)
InChIKeyWVHHRAVTKXBXPJ-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.14
Rot. Bonds5

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

N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72861628) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72861628
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)cs1
InChIInChI=1S/C14H15F3N4OS/c1-3-4-12-20-9(7-23-12)13(22)18-6-11-19-8(2)5-10(21-11)14(15,16)17/h5,7H,3-4,6H2,1-2H3,(H,18,22)
InChIKeyWVHHRAVTKXBXPJ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72861628) is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)cs1.
What is the InChIKey of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is WVHHRAVTKXBXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-3-4-12-20-9(7-23-12)13(22)18-6-11-19-8(2)5-10(21-11)14(15,16)17/h5,7H,3-4,6H2,1-2H3,(H,18,22).
What are the key properties of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72861628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).