(2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C93H81FN22O20S7 — CID 161378265

About (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

(2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 161378265) has the molecular formula C93H81FN22O20S7 and a molecular weight of 2070.27 g/mol. Its IUPAC name is (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 161378265
• Molecular Formula: C93H81FN22O20S7
• Molecular Weight: 2070.27 g/mol
• Exact Mass: 2068.40
• IUPAC Name: (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CC(C)COC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.CC(C)COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1.CC(C)COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.Cc1ccc(COC(=O)NC(=O)c2ccsc2NC(=O)c2cnc3ccnn3c2)cc1.O=C(NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)OCc1ccccc1F
• InChI: InChI=1S/C21H17N5O4S.C20H14FN5O4S.C18H17N3O4S2.C17H17N5O4S.C17H16N4O4S2/c1-13-2-4-14(5-3-13)12-30-21(29)25-19(28)16-7-9-31-20(16)24-18(27)15-10-22-17-6-8-23-26(17)11-15;21-15-4-2-1-3-12(15)11-30-20(29)25-18(28)14-6-8-31-19(14)24-17(27)13-9-22-16-5-7-23-26(16)10-13;1-10(2)9-25-18(24)21-14(22)11-7-8-26-16(11)20-15(23)17-19-12-5-3-4-6-13(12)27-17;1-10(2)9-26-17(25)21-15(24)12-4-6-27-16(12)20-14(23)11-7-18-13-3-5-19-22(13)8-11;1-9(2)8-25-17(24)21-13(22)10-4-6-26-15(10)20-14(23)16-19-11-7-18-5-3-12(11)27-16/h2-11H,12H2,1H3,(H,24,27)(H,25,28,29);1-10H,11H2,(H,24,27)(H,25,28,29);3-8,10H,9H2,1-2H3,(H,20,23)(H,21,22,24);3-8,10H,9H2,1-2H3,(H,20,23)(H,21,24,25);3-7,9H,8H2,1-2H3,(H,20,23)(H,21,22,24)
• InChIKey: VRJFLRJJCVAOTB-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 551.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2070.27
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 161378265) is (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CC(C)COC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.CC(C)COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1.CC(C)COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.Cc1ccc(COC(=O)NC(=O)c2ccsc2NC(=O)c2cnc3ccnn3c2)cc1.O=C(NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)OCc1ccccc1F.

What is the InChIKey of (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is VRJFLRJJCVAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4S.C20H14FN5O4S.C18H17N3O4S2.C17H17N5O4S.C17H16N4O4S2/c1-13-2-4-14(5-3-13)12-30-21(29)25-19(28)16-7-9-31-20(16)24-18(27)15-10-22-17-6-8-23-26(17)11-15;21-15-4-2-1-3-12(15)11-30-20(29)25-18(28)14-6-8-31-19(14)24-17(27)13-9-22-16-5-7-23-26(16)10-13;1-10(2)9-25-18(24)21-14(22)11-7-8-26-16(11)20-15(23)17-19-12-5-3-4-6-13(12)27-17;1-10(2)9-26-17(25)21-15(24)12-4-6-27-16(12)20-14(23)11-7-18-13-3-5-19-22(13)8-11;1-9(2)8-25-17(24)21-13(22)10-4-6-26-15(10)20-14(23)16-19-11-7-18-5-3-12(11)27-16/h2-11H,12H2,1H3,(H,24,27)(H,25,28,29);1-10H,11H2,(H,24,27)(H,25,28,29);3-8,10H,9H2,1-2H3,(H,20,23)(H,21,22,24);3-8,10H,9H2,1-2H3,(H,20,23)(H,21,24,25);3-7,9H,8H2,1-2H3,(H,20,23)(H,21,22,24).

What are the key properties of (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

(2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 2070.27 g/mol, XLogP of 16.89, 25 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluorophenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;2-methylpropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 161378265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).