tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate

C16H20N4O3S2 — CID 143115549

IUPACtert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate
SMILESCSc1ncnc2sc(C3COC=C3CNC(=O)OC(C)(C)C)nc12
InChIInChI=1S/C16H20N4O3S2/c1-16(2,3)23-15(21)17-5-9-6-22-7-10(9)12-20-11-13(24-4)18-8-19-14(11)25-12/h6,8,10H,5,7H2,1-4H3,(H,17,21)
InChIKeyOIGSJGQLYNAXGA-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate

tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate (PubChem CID 143115549) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate
PubChem CID143115549
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Nametert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate
SMILESCSc1ncnc2sc(C3COC=C3CNC(=O)OC(C)(C)C)nc12
InChIInChI=1S/C16H20N4O3S2/c1-16(2,3)23-15(21)17-5-9-6-22-7-10(9)12-20-11-13(24-4)18-8-19-14(11)25-12/h6,8,10H,5,7H2,1-4H3,(H,17,21)
InChIKeyOIGSJGQLYNAXGA-UHFFFAOYSA-N
XLogP3.33
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate (CID 143115549) is tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate is CSc1ncnc2sc(C3COC=C3CNC(=O)OC(C)(C)C)nc12.
What is the InChIKey of tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate?
The InChIKey is OIGSJGQLYNAXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-16(2,3)23-15(21)17-5-9-6-22-7-10(9)12-20-11-13(24-4)18-8-19-14(11)25-12/h6,8,10H,5,7H2,1-4H3,(H,17,21).
What are the key properties of tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate?
tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate has a molecular weight of 380.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2,3-dihydrofuran-4-yl]methyl]carbamate is sourced from PubChem (CID 143115549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).