tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine

C80H114ClN11O7S5 — CID 158496694

About tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine

tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 158496694) has the molecular formula C80H114ClN11O7S5 and a molecular weight of 1537.65 g/mol. Its IUPAC name is tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
• PubChem CID: 158496694
• Molecular Formula: C80H114ClN11O7S5
• Molecular Weight: 1537.65 g/mol
• Exact Mass: 1535.72
• IUPAC Name: tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCc2sc(Cl)nc2C1.CC(C)=Cc1nc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)Cc1nc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)Cc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3cccc4ncccc34)CC1)C2.CC(C)Cc1nc2c(s1)CCNC2
• InChI: InChI=1S/C29H37N3OS.C15H24N2O2S.C15H22N2O2S.C11H15ClN2O2S.C10H16N2S/c1-20(2)17-29-31-26-19-32(16-13-28(26)34-29)15-12-21-8-10-22(11-9-21)18-27(33)24-5-3-7-25-23(24)6-4-14-30-25;2*1-10(2)8-13-16-11-9-17(7-6-12(11)20-13)14(18)19-15(3,4)5;1-11(2,3)16-10(15)14-5-4-8-7(6-14)13-9(12)17-8;1-7(2)5-10-12-8-6-11-4-3-9(8)13-10/h3-7,14,20-22H,8-13,15-19H2,1-2H3;10H,6-9H2,1-5H3;8H,6-7,9H2,1-5H3;4-6H2,1-3H3;7,11H,3-6H2,1-2H3
• InChIKey: HJJMRISEWPSCTC-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 198.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.65
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

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-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?

The IUPAC name of tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (CID 158496694) is tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.

What is the SMILES notation for tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?

The canonical SMILES for tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is CC(C)(C)OC(=O)N1CCc2sc(Cl)nc2C1.CC(C)=Cc1nc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)Cc1nc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)Cc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3cccc4ncccc34)CC1)C2.CC(C)Cc1nc2c(s1)CCNC2.

What is the InChIKey of tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?

The InChIKey is HJJMRISEWPSCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3OS.C15H24N2O2S.C15H22N2O2S.C11H15ClN2O2S.C10H16N2S/c1-20(2)17-29-31-26-19-32(16-13-28(26)34-29)15-12-21-8-10-22(11-9-21)18-27(33)24-5-3-7-25-23(24)6-4-14-30-25;2*1-10(2)8-13-16-11-9-17(7-6-12(11)20-13)14(18)19-15(3,4)5;1-11(2,3)16-10(15)14-5-4-8-7(6-14)13-9(12)17-8;1-7(2)5-10-12-8-6-11-4-3-9(8)13-10/h3-7,14,20-22H,8-13,15-19H2,1-2H3;10H,6-9H2,1-5H3;8H,6-7,9H2,1-5H3;4-6H2,1-3H3;7,11H,3-6H2,1-2H3.

What are the key properties of tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?

tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 1537.65 g/mol, XLogP of 19.29, 13 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 158496694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).