2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid

C18H19F3N4O3S2 — CID 166315398

IUPAC2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1ncc(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N4OS2.C2HF3O2/c1-10-17-7-11(19-10)8-18-15(21)16(2,3)13-9-23-14(20-13)12-5-4-6-22-12;3-2(4,5)1(6)7/h4-7,9H,8H2,1-3H3,(H,17,19)(H,18,21);(H,6,7)
InChIKeyCMSOIMURJMWXDE-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.13
Rot. Bonds5

About 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid

2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 166315398) has the molecular formula C18H19F3N4O3S2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID166315398
Molecular FormulaC18H19F3N4O3S2
Molecular Weight460.50 g/mol
Exact Mass460.09
IUPAC Name2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1ncc(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N4OS2.C2HF3O2/c1-10-17-7-11(19-10)8-18-15(21)16(2,3)13-9-23-14(20-13)12-5-4-6-22-12;3-2(4,5)1(6)7/h4-7,9H,8H2,1-3H3,(H,17,19)(H,18,21);(H,6,7)
InChIKeyCMSOIMURJMWXDE-UHFFFAOYSA-N
XLogP4.13
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid (CID 166315398) is 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid is Cc1ncc(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is CMSOIMURJMWXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2.C2HF3O2/c1-10-17-7-11(19-10)8-18-15(21)16(2,3)13-9-23-14(20-13)12-5-4-6-22-12;3-2(4,5)1(6)7/h4-7,9H,8H2,1-3H3,(H,17,19)(H,18,21);(H,6,7).
What are the key properties of 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid?
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 460.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166315398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).