tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine

C52H72Cl3F6N17O10S5 — CID 159835423

About tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine

tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 159835423) has the molecular formula C52H72Cl3F6N17O10S5 and a molecular weight of 1475.94 g/mol. Its IUPAC name is tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine
• PubChem CID: 159835423
• Molecular Formula: C52H72Cl3F6N17O10S5
• Molecular Weight: 1475.94 g/mol
• Exact Mass: 1473.32
• IUPAC Name: tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine
• SMILES: CCc1nn(CC(=O)O)c(=NC(=O)OC(C)(C)C)s1.CCc1nnc(N)s1.CCc1nnc(NC(=O)OC(C)(C)C)s1.COCc1nn2c(CN3CC(CCC(F)(F)F)CC3=O)c(Cl)nc2s1.COCc1nn2cc(Cl)nc2s1.O=C1CC(CCC(F)(F)F)CN1CCl
• InChI: InChI=1S/C14H16ClF3N4O2S.C11H17N3O4S.C9H15N3O2S.C8H11ClF3NO.C6H6ClN3OS.C4H7N3S/c1-24-7-10-20-22-9(12(15)19-13(22)25-10)6-21-5-8(4-11(21)23)2-3-14(16,17)18;1-5-7-13-14(6-8(15)16)9(19-7)12-10(17)18-11(2,3)4;1-5-6-11-12-7(15-6)10-8(13)14-9(2,3)4;9-5-13-4-6(3-7(13)14)1-2-8(10,11)12;1-11-3-5-9-10-2-4(7)8-6(10)12-5;1-2-3-6-7-4(5)8-3/h8H,2-7H2,1H3;5-6H2,1-4H3,(H,15,16);5H2,1-4H3,(H,10,12,13);6H,1-5H2;2H,3H2,1H3;2H2,1H3,(H2,5,7)
• InChIKey: NNZWEBBKESBUKJ-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 329.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1475.94
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine?

The IUPAC name of tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine (CID 159835423) is tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine?

The canonical SMILES for tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nn(CC(=O)O)c(=NC(=O)OC(C)(C)C)s1.CCc1nnc(N)s1.CCc1nnc(NC(=O)OC(C)(C)C)s1.COCc1nn2c(CN3CC(CCC(F)(F)F)CC3=O)c(Cl)nc2s1.COCc1nn2cc(Cl)nc2s1.O=C1CC(CCC(F)(F)F)CN1CCl.

What is the InChIKey of tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine?

The InChIKey is NNZWEBBKESBUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N4O2S.C11H17N3O4S.C9H15N3O2S.C8H11ClF3NO.C6H6ClN3OS.C4H7N3S/c1-24-7-10-20-22-9(12(15)19-13(22)25-10)6-21-5-8(4-11(21)23)2-3-14(16,17)18;1-5-7-13-14(6-8(15)16)9(19-7)12-10(17)18-11(2,3)4;1-5-6-11-12-7(15-6)10-8(13)14-9(2,3)4;9-5-13-4-6(3-7(13)14)1-2-8(10,11)12;1-11-3-5-9-10-2-4(7)8-6(10)12-5;1-2-3-6-7-4(5)8-3/h8H,2-7H2,1H3;5-6H2,1-4H3,(H,15,16);5H2,1-4H3,(H,10,12,13);6H,1-5H2;2H,3H2,1H3;2H2,1H3,(H2,5,7).

What are the key properties of tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine?

tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 1475.94 g/mol, XLogP of 11.80, 17 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate;6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole;1-[[6-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;1-(chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one;2-[5-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]-1,3,4-thiadiazol-3-yl]acetic acid;5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 159835423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).