tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile

C59H76N12O7S5 — CID 157332085

About tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile

tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile (PubChem CID 157332085) has the molecular formula C59H76N12O7S5 and a molecular weight of 1225.67 g/mol. Its IUPAC name is tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile.

Molecular Properties

• Compound Name: tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile
• PubChem CID: 157332085
• Molecular Formula: C59H76N12O7S5
• Molecular Weight: 1225.67 g/mol
• Exact Mass: 1224.46
• IUPAC Name: tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile
• SMILES: C.C.CC1CC(=O)CCN1C(=O)OC(C)(C)C.CC1Cc2c(sc(N)c2-c2nc3cnccc3s2)CN1C(=O)OC(C)(C)C.CC1c2sc(N)c(-c3nc4cnccc4s3)c2CCN1C(=O)OC(C)(C)C.N#CCc1nc2cnccc2s1
• InChI: InChI=1S/2C19H22N4O2S2.C11H19NO3.C8H5N3S.2CH4/c1-10-15-11(6-8-23(10)18(24)25-19(2,3)4)14(16(20)27-15)17-22-12-9-21-7-5-13(12)26-17;1-10-7-11-14(9-23(10)18(24)25-19(2,3)4)26-16(20)15(11)17-22-12-8-21-6-5-13(12)27-17;1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4;9-3-1-8-11-6-5-10-4-2-7(6)12-8;;/h5,7,9-10H,6,8,20H2,1-4H3;5-6,8,10H,7,9,20H2,1-4H3;8H,5-7H2,1-4H3;2,4-5H,1H2;2*1H4
• InChIKey: BFKFINHVBSMVAU-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 258.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 3
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.67
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

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-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile?

The IUPAC name of tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile (CID 157332085) is tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile.

What is the SMILES notation for tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile?

The canonical SMILES for tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile is C.C.CC1CC(=O)CCN1C(=O)OC(C)(C)C.CC1Cc2c(sc(N)c2-c2nc3cnccc3s2)CN1C(=O)OC(C)(C)C.CC1c2sc(N)c(-c3nc4cnccc4s3)c2CCN1C(=O)OC(C)(C)C.N#CCc1nc2cnccc2s1.

What is the InChIKey of tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile?

The InChIKey is BFKFINHVBSMVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H22N4O2S2.C11H19NO3.C8H5N3S.2CH4/c1-10-15-11(6-8-23(10)18(24)25-19(2,3)4)14(16(20)27-15)17-22-12-9-21-7-5-13(12)26-17;1-10-7-11-14(9-23(10)18(24)25-19(2,3)4)26-16(20)15(11)17-22-12-8-21-6-5-13(12)27-17;1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4;9-3-1-8-11-6-5-10-4-2-7(6)12-8;;/h5,7,9-10H,6,8,20H2,1-4H3;5-6,8,10H,7,9,20H2,1-4H3;8H,5-7H2,1-4H3;2,4-5H,1H2;2*1H4.

What are the key properties of tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile?

tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile has a molecular weight of 1225.67 g/mol, XLogP of 14.54, 3 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-amino-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate;methane;2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetonitrile is sourced from PubChem (CID 157332085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).