[1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate

C17H24N6O4S — CID 151089338

IUPAC[1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
SMILESCOc1ncnc2sc(NC(=O)N3CCC(CC(C)(C)OC(N)=O)CC3)nc12
InChIInChI=1S/C17H24N6O4S/c1-17(2,27-14(18)24)8-10-4-6-23(7-5-10)16(25)22-15-21-11-12(26-3)19-9-20-13(11)28-15/h9-10H,4-8H2,1-3H3,(H2,18,24)(H,21,22,25)
InChIKeyMLUHCINDABFOQE-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.60
Rot. Bonds5

About [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate

[1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 151089338) has the molecular formula C17H24N6O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
PubChem CID151089338
Molecular FormulaC17H24N6O4S
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC Name[1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
SMILESCOc1ncnc2sc(NC(=O)N3CCC(CC(C)(C)OC(N)=O)CC3)nc12
InChIInChI=1S/C17H24N6O4S/c1-17(2,27-14(18)24)8-10-4-6-23(7-5-10)16(25)22-15-21-11-12(26-3)19-9-20-13(11)28-15/h9-10H,4-8H2,1-3H3,(H2,18,24)(H,21,22,25)
InChIKeyMLUHCINDABFOQE-UHFFFAOYSA-N
XLogP2.60
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate (CID 151089338) is [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate is COc1ncnc2sc(NC(=O)N3CCC(CC(C)(C)OC(N)=O)CC3)nc12.
What is the InChIKey of [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is MLUHCINDABFOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4S/c1-17(2,27-14(18)24)8-10-4-6-23(7-5-10)16(25)22-15-21-11-12(26-3)19-9-20-13(11)28-15/h9-10H,4-8H2,1-3H3,(H2,18,24)(H,21,22,25).
What are the key properties of [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
[1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 408.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151089338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).