N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide

C19H17F3N4O3S2 — CID 118618315

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOC(CN(C)c1nc2sc(C(=O)Nc3ccc4oc(C)nc4c3)cc2s1)C(F)(F)F
InChIInChI=1S/C19H17F3N4O3S2/c1-9-23-11-6-10(4-5-12(11)29-9)24-16(27)13-7-14-17(30-13)25-18(31-14)26(2)8-15(28-3)19(20,21)22/h4-7,15H,8H2,1-3H3,(H,24,27)
InChIKeyXLQDQJAOOFQXFZ-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.07
Rot. Bonds6

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618315) has the molecular formula C19H17F3N4O3S2 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618315
Molecular FormulaC19H17F3N4O3S2
Molecular Weight470.50 g/mol
Exact Mass470.07
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOC(CN(C)c1nc2sc(C(=O)Nc3ccc4oc(C)nc4c3)cc2s1)C(F)(F)F
InChIInChI=1S/C19H17F3N4O3S2/c1-9-23-11-6-10(4-5-12(11)29-9)24-16(27)13-7-14-17(30-13)25-18(31-14)26(2)8-15(28-3)19(20,21)22/h4-7,15H,8H2,1-3H3,(H,24,27)
InChIKeyXLQDQJAOOFQXFZ-UHFFFAOYSA-N
XLogP5.07
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-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 N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618315) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide is COC(CN(C)c1nc2sc(C(=O)Nc3ccc4oc(C)nc4c3)cc2s1)C(F)(F)F.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is XLQDQJAOOFQXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S2/c1-9-23-11-6-10(4-5-12(11)29-9)24-16(27)13-7-14-17(30-13)25-18(31-14)26(2)8-15(28-3)19(20,21)22/h4-7,15H,8H2,1-3H3,(H,24,27).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[methyl-(3,3,3-trifluoro-2-methoxypropyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).