tert-butyl carbamate;1,3-thiazole

C8H14N2O2S — CID 23441558

IUPACtert-butyl carbamate;1,3-thiazole
SMILESCC(C)(C)OC(N)=O.c1cscn1
InChIInChI=1S/C5H11NO2.C3H3NS/c1-5(2,3)8-4(6)7;1-2-5-3-4-1/h1-3H3,(H2,6,7);1-3H
InChIKeyXDSBGUVZCPLDQE-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.02
Rot. Bonds

About tert-butyl carbamate;1,3-thiazole

tert-butyl carbamate;1,3-thiazole (PubChem CID 23441558) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is tert-butyl carbamate;1,3-thiazole.

Molecular Properties

Compound Nametert-butyl carbamate;1,3-thiazole
PubChem CID23441558
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Nametert-butyl carbamate;1,3-thiazole
SMILESCC(C)(C)OC(N)=O.c1cscn1
InChIInChI=1S/C5H11NO2.C3H3NS/c1-5(2,3)8-4(6)7;1-2-5-3-4-1/h1-3H3,(H2,6,7);1-3H
InChIKeyXDSBGUVZCPLDQE-UHFFFAOYSA-N
XLogP2.02
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;1,3-thiazole?
The IUPAC name of tert-butyl carbamate;1,3-thiazole (CID 23441558) is tert-butyl carbamate;1,3-thiazole.
What is the SMILES notation for tert-butyl carbamate;1,3-thiazole?
The canonical SMILES for tert-butyl carbamate;1,3-thiazole is CC(C)(C)OC(N)=O.c1cscn1.
What is the InChIKey of tert-butyl carbamate;1,3-thiazole?
The InChIKey is XDSBGUVZCPLDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C3H3NS/c1-5(2,3)8-4(6)7;1-2-5-3-4-1/h1-3H3,(H2,6,7);1-3H.
What are the key properties of tert-butyl carbamate;1,3-thiazole?
tert-butyl carbamate;1,3-thiazole has a molecular weight of 202.28 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;1,3-thiazole is sourced from PubChem (CID 23441558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).