5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide

C13H13F3N4OS — CID 71985960

IUPAC5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide
SMILESCCC(NC(=O)c1cnc(C)cn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H13F3N4OS/c1-3-8(12-20-10(6-22-12)13(14,15)16)19-11(21)9-5-17-7(2)4-18-9/h4-6,8H,3H2,1-2H3,(H,19,21)
InChIKeyBEOAAXAKCQHFJM-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.14
Rot. Bonds4

About 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide

5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide (PubChem CID 71985960) has the molecular formula C13H13F3N4OS and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide
PubChem CID71985960
Molecular FormulaC13H13F3N4OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC Name5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide
SMILESCCC(NC(=O)c1cnc(C)cn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H13F3N4OS/c1-3-8(12-20-10(6-22-12)13(14,15)16)19-11(21)9-5-17-7(2)4-18-9/h4-6,8H,3H2,1-2H3,(H,19,21)
InChIKeyBEOAAXAKCQHFJM-UHFFFAOYSA-N
XLogP3.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide (CID 71985960) is 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide is CCC(NC(=O)c1cnc(C)cn1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide?
The InChIKey is BEOAAXAKCQHFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS/c1-3-8(12-20-10(6-22-12)13(14,15)16)19-11(21)9-5-17-7(2)4-18-9/h4-6,8H,3H2,1-2H3,(H,19,21).
What are the key properties of 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide?
5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71985960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).