tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide

C100H114N20O11S10 — CID 160913401

About tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide

tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide (PubChem CID 160913401) has the molecular formula C100H114N20O11S10 and a molecular weight of 2092.81 g/mol. Its IUPAC name is tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
• PubChem CID: 160913401
• Molecular Formula: C100H114N20O11S10
• Molecular Weight: 2092.81 g/mol
• Exact Mass: 2090.62
• IUPAC Name: tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
• SMILES: CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CC(C)N(C(=O)OC(C)(C)C)C2C.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]2C.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@@H](C)N[C@@H]2C.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@H](C)N(C(=O)OC(C)(C)C)[C@H]2C.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@H](C)N[C@H]2C
• InChI: InChI=1S/3C22H26N4O3S2.2C17H18N4OS2/c3*1-11-9-14-17(20-25-15-10-23-8-7-16(15)30-20)19(24-13(3)27)31-18(14)12(2)26(11)21(28)29-22(4,5)6;2*1-8-6-11-14(17-21-12-7-18-5-4-13(12)23-17)16(20-10(3)22)24-15(11)9(2)19-8/h3*7-8,10-12H,9H2,1-6H3,(H,24,27);2*4-5,7-9,19H,6H2,1-3H3,(H,20,22)/t2*11-,12-;;2*8-,9-/m10.10/s1
• InChIKey: SRBZBKPWJIVSJL-PPJQGSNDSA-N
• XLogP: 24.81
• TPSA: 387.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 10
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2092.81
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?

The IUPAC name of tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide (CID 160913401) is tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide.

What is the SMILES notation for tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?

The canonical SMILES for tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide is CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CC(C)N(C(=O)OC(C)(C)C)C2C.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]2C.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@@H](C)N[C@@H]2C.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@H](C)N(C(=O)OC(C)(C)C)[C@H]2C.CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C[C@H](C)N[C@H]2C.

What is the InChIKey of tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?

The InChIKey is SRBZBKPWJIVSJL-PPJQGSNDSA-N. The full InChI is InChI=1S/3C22H26N4O3S2.2C17H18N4OS2/c3*1-11-9-14-17(20-25-15-10-23-8-7-16(15)30-20)19(24-13(3)27)31-18(14)12(2)26(11)21(28)29-22(4,5)6;2*1-8-6-11-14(17-21-12-7-18-5-4-13(12)23-17)16(20-10(3)22)24-15(11)9(2)19-8/h3*7-8,10-12H,9H2,1-6H3,(H,24,27);2*4-5,7-9,19H,6H2,1-3H3,(H,20,22)/t2*11-,12-;;2*8-,9-/m10.10/s1.

What are the key properties of tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?

tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide has a molecular weight of 2092.81 g/mol, XLogP of 24.81, 10 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5S,7S)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl (5R,7R)-2-acetamido-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;N-[(5S,7S)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R,7R)-5,7-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 160913401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).