[3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol

C7H7N3O2S — CID 14814711

IUPAC[3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol
SMILESNc1nc(-c2cc(CO)on2)cs1
InChIInChI=1S/C7H7N3O2S/c8-7-9-6(3-13-7)5-1-4(2-11)12-10-5/h1,3,11H,2H2,(H2,8,9)
InChIKeyHHSUWMSPSPOGNR-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.87
Rot. Bonds2

About [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol

[3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol (PubChem CID 14814711) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol
PubChem CID14814711
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name[3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol
SMILESNc1nc(-c2cc(CO)on2)cs1
InChIInChI=1S/C7H7N3O2S/c8-7-9-6(3-13-7)5-1-4(2-11)12-10-5/h1,3,11H,2H2,(H2,8,9)
InChIKeyHHSUWMSPSPOGNR-UHFFFAOYSA-N
XLogP0.87
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol (CID 14814711) is [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol is Nc1nc(-c2cc(CO)on2)cs1.
What is the InChIKey of [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol?
The InChIKey is HHSUWMSPSPOGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c8-7-9-6(3-13-7)5-1-4(2-11)12-10-5/h1,3,11H,2H2,(H2,8,9).
What are the key properties of [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol?
[3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol has a molecular weight of 197.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-1,3-thiazol-4-yl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 14814711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).