tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate

C23H30N4O5S — CID 66864088

IUPACtert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1C(=O)N(C(=O)OC(C)(C)C)c1nc2c(s1)CNCC2
InChIInChI=1S/C23H30N4O5S/c1-22(2,3)31-20(29)26-15-10-8-7-9-14(15)18(28)27(21(30)32-23(4,5)6)19-25-16-11-12-24-13-17(16)33-19/h7-10,24H,11-13H2,1-6H3,(H,26,29)
InChIKeyBLSOCTPPTWNCRM-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.72
Rot. Bonds3

About tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate

tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate (PubChem CID 66864088) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
PubChem CID66864088
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1C(=O)N(C(=O)OC(C)(C)C)c1nc2c(s1)CNCC2
InChIInChI=1S/C23H30N4O5S/c1-22(2,3)31-20(29)26-15-10-8-7-9-14(15)18(28)27(21(30)32-23(4,5)6)19-25-16-11-12-24-13-17(16)33-19/h7-10,24H,11-13H2,1-6H3,(H,26,29)
InChIKeyBLSOCTPPTWNCRM-UHFFFAOYSA-N
XLogP4.72
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate (CID 66864088) is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate is CC(C)(C)OC(=O)Nc1ccccc1C(=O)N(C(=O)OC(C)(C)C)c1nc2c(s1)CNCC2.
What is the InChIKey of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
The InChIKey is BLSOCTPPTWNCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-22(2,3)31-20(29)26-15-10-8-7-9-14(15)18(28)27(21(30)32-23(4,5)6)19-25-16-11-12-24-13-17(16)33-19/h7-10,24H,11-13H2,1-6H3,(H,26,29).
What are the key properties of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate has a molecular weight of 474.58 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate is sourced from PubChem (CID 66864088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).