5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide

C15H18F3N5O3S — CID 130333185

About 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide

5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide (PubChem CID 130333185) has the molecular formula C15H18F3N5O3S and a molecular weight of 405.40 g/mol. Its IUPAC name is 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide
• PubChem CID: 130333185
• Molecular Formula: C15H18F3N5O3S
• Molecular Weight: 405.40 g/mol
• Exact Mass: 405.11
• IUPAC Name: 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide
• SMILES: CN(Cc1csc(C(C)(O)C(F)(F)F)n1)C(=O)c1c(N(C)C=O)ncn1C
• InChI: InChI=1S/C15H18F3N5O3S/c1-14(26,15(16,17)18)13-20-9(6-27-13)5-21(2)12(25)10-11(23(4)8-24)19-7-22(10)3/h6-8,26H,5H2,1-4H3
• InChIKey: SHNKLODSWAPQOJ-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 91.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.40
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide?

The IUPAC name of 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide (CID 130333185) is 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide.

What is the SMILES notation for 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide?

The canonical SMILES for 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide is CN(Cc1csc(C(C)(O)C(F)(F)F)n1)C(=O)c1c(N(C)C=O)ncn1C.

What is the InChIKey of 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide?

The InChIKey is SHNKLODSWAPQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3S/c1-14(26,15(16,17)18)13-20-9(6-27-13)5-21(2)12(25)10-11(23(4)8-24)19-7-22(10)3/h6-8,26H,5H2,1-4H3.

What are the key properties of 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide?

5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[formyl(methyl)amino]-N,3-dimethyl-N-[[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 130333185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).