ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate

C68H61F3N16O16S7 — CID 162150431

About ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate (PubChem CID 162150431) has the molecular formula C68H61F3N16O16S7 and a molecular weight of 1639.79 g/mol. Its IUPAC name is ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate
• PubChem CID: 162150431
• Molecular Formula: C68H61F3N16O16S7
• Molecular Weight: 1639.79 g/mol
• Exact Mass: 1638.24
• IUPAC Name: ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate
• SMILES: CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nn(-c2ccccc2)nc1C.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1sc(-c2cccnc2)nc1C.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1sc(-c2ccncc2)nc1C.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1sc(C)nc1C(F)(F)F
• InChI: InChI=1S/C18H17N5O4S.2C18H16N4O4S2.C14H12F3N3O4S2/c1-3-27-18(26)20-15(24)13-9-10-28-17(13)19-16(25)14-11(2)21-23(22-14)12-7-5-4-6-8-12;1-3-26-18(25)22-14(23)12-6-9-27-17(12)21-15(24)13-10(2)20-16(28-13)11-4-7-19-8-5-11;1-3-26-18(25)22-14(23)12-6-8-27-17(12)21-15(24)13-10(2)20-16(28-13)11-5-4-7-19-9-11;1-3-24-13(23)20-10(21)7-4-5-25-12(7)19-11(22)8-9(14(15,16)17)18-6(2)26-8/h4-10H,3H2,1-2H3,(H,19,25)(H,20,24,26);2*4-9H,3H2,1-2H3,(H,21,24)(H,22,23,25);4-5H,3H2,1-2H3,(H,19,22)(H,20,21,23)
• InChIKey: ZLDDRVGPOXPXHQ-UHFFFAOYSA-N
• XLogP: 13.87
• TPSA: 433.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1639.79
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate (CID 162150431) is ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nn(-c2ccccc2)nc1C.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1sc(-c2cccnc2)nc1C.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1sc(-c2ccncc2)nc1C.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1sc(C)nc1C(F)(F)F.

What is the InChIKey of ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate?

The InChIKey is ZLDDRVGPOXPXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S.2C18H16N4O4S2.C14H12F3N3O4S2/c1-3-27-18(26)20-15(24)13-9-10-28-17(13)19-16(25)14-11(2)21-23(22-14)12-7-5-4-6-8-12;1-3-26-18(25)22-14(23)12-6-9-27-17(12)21-15(24)13-10(2)20-16(28-13)11-4-7-19-8-5-11;1-3-26-18(25)22-14(23)12-6-8-27-17(12)21-15(24)13-10(2)20-16(28-13)11-5-4-7-19-9-11;1-3-24-13(23)20-10(21)7-4-5-25-12(7)19-11(22)8-9(14(15,16)17)18-6(2)26-8/h4-10H,3H2,1-2H3,(H,19,25)(H,20,24,26);2*4-9H,3H2,1-2H3,(H,21,24)(H,22,23,25);4-5H,3H2,1-2H3,(H,19,22)(H,20,21,23).

What are the key properties of ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate?

ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate has a molecular weight of 1639.79 g/mol, XLogP of 13.87, 19 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 162150431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).