(2-amino-1,3-thiazol-5-yl)-methoxyazanium

C4H8N3OS+ — CID 145259993

IUPAC(2-amino-1,3-thiazol-5-yl)-methoxyazanium
SMILESCO[NH2+]c1cnc(N)s1
InChIInChI=1S/C4H7N3OS/c1-8-7-3-2-6-4(5)9-3/h2,7H,1H3,(H2,5,6)/p+1
InChIKeyIIRLIOKEQTZLRA-UHFFFAOYSA-O
MW146.19 g/mol
LogP-0.52
Rot. Bonds2

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

(2-amino-1,3-thiazol-5-yl)-methoxyazanium (PubChem CID 145259993) has the molecular formula C4H8N3OS+ and a molecular weight of 146.19 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-methoxyazanium.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-methoxyazanium
PubChem CID145259993
Molecular FormulaC4H8N3OS+
Molecular Weight146.19 g/mol
Exact Mass146.04
IUPAC Name(2-amino-1,3-thiazol-5-yl)-methoxyazanium
SMILESCO[NH2+]c1cnc(N)s1
InChIInChI=1S/C4H7N3OS/c1-8-7-3-2-6-4(5)9-3/h2,7H,1H3,(H2,5,6)/p+1
InChIKeyIIRLIOKEQTZLRA-UHFFFAOYSA-O
XLogP-0.52
TPSA64.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-methoxyazanium?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-methoxyazanium (CID 145259993) is (2-amino-1,3-thiazol-5-yl)-methoxyazanium.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-methoxyazanium?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-methoxyazanium is CO[NH2+]c1cnc(N)s1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-methoxyazanium?
The InChIKey is IIRLIOKEQTZLRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7N3OS/c1-8-7-3-2-6-4(5)9-3/h2,7H,1H3,(H2,5,6)/p+1.
What are the key properties of (2-amino-1,3-thiazol-5-yl)-methoxyazanium?
(2-amino-1,3-thiazol-5-yl)-methoxyazanium has a molecular weight of 146.19 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-methoxyazanium is sourced from PubChem (CID 145259993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).