(4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate

C29H38F6N10O7S3 — CID 158795980

About (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate

(4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate (PubChem CID 158795980) has the molecular formula C29H38F6N10O7S3 and a molecular weight of 848.87 g/mol. Its IUPAC name is (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate.

Molecular Properties

• Compound Name: (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate
• PubChem CID: 158795980
• Molecular Formula: C29H38F6N10O7S3
• Molecular Weight: 848.87 g/mol
• Exact Mass: 848.20
• IUPAC Name: (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate
• SMILES: C.CCc1csc(C)c1CN.CCc1csc(C)c1OS(=O)NC(=O)Nc1nc(OC)nc(C(F)(F)F)n1.COC(=O)Nc1nc(OC)nc(C(F)(F)F)n1
• InChI: InChI=1S/C13H14F3N5O4S2.C8H13NS.C7H7F3N4O3.CH4/c1-4-7-5-26-6(2)8(7)25-27(23)21-11(22)19-10-17-9(13(14,15)16)18-12(20-10)24-3;1-3-7-5-10-6(2)8(7)4-9;1-16-5-12-3(7(8,9)10)11-4(13-5)14-6(15)17-2;/h5H,4H2,1-3H3,(H2,17,18,19,20,21,22);5H,3-4,9H2,1-2H3;1-2H3,(H,11,12,13,14,15);1H4
• InChIKey: ISWFWUULPFRGMO-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 227.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.87
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate?

The IUPAC name of (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate (CID 158795980) is (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate.

What is the SMILES notation for (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate?

The canonical SMILES for (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate is C.CCc1csc(C)c1CN.CCc1csc(C)c1OS(=O)NC(=O)Nc1nc(OC)nc(C(F)(F)F)n1.COC(=O)Nc1nc(OC)nc(C(F)(F)F)n1.

What is the InChIKey of (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate?

The InChIKey is ISWFWUULPFRGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O4S2.C8H13NS.C7H7F3N4O3.CH4/c1-4-7-5-26-6(2)8(7)25-27(23)21-11(22)19-10-17-9(13(14,15)16)18-12(20-10)24-3;1-3-7-5-10-6(2)8(7)4-9;1-16-5-12-3(7(8,9)10)11-4(13-5)14-6(15)17-2;/h5H,4H2,1-3H3,(H2,17,18,19,20,21,22);5H,3-4,9H2,1-2H3;1-2H3,(H,11,12,13,14,15);1H4.

What are the key properties of (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate?

(4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate has a molecular weight of 848.87 g/mol, XLogP of 6.40, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethyl-2-methylthiophen-3-yl)methanamine;1-(4-ethyl-2-methylthiophen-3-yl)oxysulfinyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;methane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate is sourced from PubChem (CID 158795980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).