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

C13H13F3N4OS — CID 71985964

IUPAC2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(C)n1)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)9-4-5-17-7(2)18-9/h4-6,8H,3H2,1-2H3,(H,19,21)
InChIKeyFRZCXBPTJAKMDN-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.14
Rot. Bonds4

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

2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide (PubChem CID 71985964) has the molecular formula C13H13F3N4OS and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide
PubChem CID71985964
Molecular FormulaC13H13F3N4OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC Name2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(C)n1)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)9-4-5-17-7(2)18-9/h4-6,8H,3H2,1-2H3,(H,19,21)
InChIKeyFRZCXBPTJAKMDN-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide (CID 71985964) is 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide is CCC(NC(=O)c1ccnc(C)n1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide?
The InChIKey is FRZCXBPTJAKMDN-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)9-4-5-17-7(2)18-9/h4-6,8H,3H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide?
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-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 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71985964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).