tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate

C24H33N3O6S2 — CID 169266154

About tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate

tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate (PubChem CID 169266154) has the molecular formula C24H33N3O6S2 and a molecular weight of 523.68 g/mol. Its IUPAC name is tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate
• PubChem CID: 169266154
• Molecular Formula: C24H33N3O6S2
• Molecular Weight: 523.68 g/mol
• Exact Mass: 523.18
• IUPAC Name: tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate
• SMILES: COc1c(C[C@H](C)NC(=O)OC(C)(C)C)sc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)snc12
• InChI: InChI=1S/C24H33N3O6S2/c1-14(25-21(28)32-23(2,3)4)12-16-18(30-8)17-19(34-16)20(35-26-17)27(13-15-10-9-11-31-15)22(29)33-24(5,6)7/h9-11,14H,12-13H2,1-8H3,(H,25,28)/t14-/m0/s1
• InChIKey: XZKPUJNTFIOLSW-AWEZNQCLSA-N
• XLogP: 6.36
• TPSA: 103.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.68
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate?

The IUPAC name of tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate (CID 169266154) is tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate?

The canonical SMILES for tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate is COc1c(C[C@H](C)NC(=O)OC(C)(C)C)sc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)snc12.

What is the InChIKey of tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate?

The InChIKey is XZKPUJNTFIOLSW-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H33N3O6S2/c1-14(25-21(28)32-23(2,3)4)12-16-18(30-8)17-19(34-16)20(35-26-17)27(13-15-10-9-11-31-15)22(29)33-24(5,6)7/h9-11,14H,12-13H2,1-8H3,(H,25,28)/t14-/m0/s1.

What are the key properties of tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate?

tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate has a molecular weight of 523.68 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(furan-2-ylmethyl)-N-[6-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-c][1,2]thiazol-3-yl]carbamate is sourced from PubChem (CID 169266154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).