(5-amino-1,3-thiazol-2-yl) hydrogen carbonate

C4H4N2O3S — CID 141363167

IUPAC(5-amino-1,3-thiazol-2-yl) hydrogen carbonate
SMILESNc1cnc(OC(=O)O)s1
InChIInChI=1S/C4H4N2O3S/c5-2-1-6-3(10-2)9-4(7)8/h1H,5H2,(H,7,8)
InChIKeyFJFGBKPUVOIRJP-UHFFFAOYSA-N
MW160.15 g/mol
LogP0.78
Rot. Bonds1

About (5-amino-1,3-thiazol-2-yl) hydrogen carbonate

(5-amino-1,3-thiazol-2-yl) hydrogen carbonate (PubChem CID 141363167) has the molecular formula C4H4N2O3S and a molecular weight of 160.15 g/mol. Its IUPAC name is (5-amino-1,3-thiazol-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-amino-1,3-thiazol-2-yl) hydrogen carbonate
PubChem CID141363167
Molecular FormulaC4H4N2O3S
Molecular Weight160.15 g/mol
Exact Mass159.99
IUPAC Name(5-amino-1,3-thiazol-2-yl) hydrogen carbonate
SMILESNc1cnc(OC(=O)O)s1
InChIInChI=1S/C4H4N2O3S/c5-2-1-6-3(10-2)9-4(7)8/h1H,5H2,(H,7,8)
InChIKeyFJFGBKPUVOIRJP-UHFFFAOYSA-N
XLogP0.78
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-thiazol-2-yl) hydrogen carbonate?
The IUPAC name of (5-amino-1,3-thiazol-2-yl) hydrogen carbonate (CID 141363167) is (5-amino-1,3-thiazol-2-yl) hydrogen carbonate.
What is the SMILES notation for (5-amino-1,3-thiazol-2-yl) hydrogen carbonate?
The canonical SMILES for (5-amino-1,3-thiazol-2-yl) hydrogen carbonate is Nc1cnc(OC(=O)O)s1.
What is the InChIKey of (5-amino-1,3-thiazol-2-yl) hydrogen carbonate?
The InChIKey is FJFGBKPUVOIRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3S/c5-2-1-6-3(10-2)9-4(7)8/h1H,5H2,(H,7,8).
What are the key properties of (5-amino-1,3-thiazol-2-yl) hydrogen carbonate?
(5-amino-1,3-thiazol-2-yl) hydrogen carbonate has a molecular weight of 160.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-thiazol-2-yl) hydrogen carbonate is sourced from PubChem (CID 141363167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).