2-nitro-1,3-thiazol-5-amine

C3H3N3O2S — CID 15238445

IUPAC2-nitro-1,3-thiazol-5-amine
SMILESNc1cnc([N+](=O)[O-])s1
InChIInChI=1S/C3H3N3O2S/c4-2-1-5-3(9-2)6(7)8/h1H,4H2
InChIKeyKMCVYXPYIKKVMS-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.63
Rot. Bonds1

About 2-nitro-1,3-thiazol-5-amine

2-nitro-1,3-thiazol-5-amine (PubChem CID 15238445) has the molecular formula C3H3N3O2S and a molecular weight of 145.14 g/mol. Its IUPAC name is 2-nitro-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-nitro-1,3-thiazol-5-amine
PubChem CID15238445
Molecular FormulaC3H3N3O2S
Molecular Weight145.14 g/mol
Exact Mass144.99
IUPAC Name2-nitro-1,3-thiazol-5-amine
SMILESNc1cnc([N+](=O)[O-])s1
InChIInChI=1S/C3H3N3O2S/c4-2-1-5-3(9-2)6(7)8/h1H,4H2
InChIKeyKMCVYXPYIKKVMS-UHFFFAOYSA-N
XLogP0.63
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-1,3-thiazol-5-amine?
The IUPAC name of 2-nitro-1,3-thiazol-5-amine (CID 15238445) is 2-nitro-1,3-thiazol-5-amine.
What is the SMILES notation for 2-nitro-1,3-thiazol-5-amine?
The canonical SMILES for 2-nitro-1,3-thiazol-5-amine is Nc1cnc([N+](=O)[O-])s1.
What is the InChIKey of 2-nitro-1,3-thiazol-5-amine?
The InChIKey is KMCVYXPYIKKVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2S/c4-2-1-5-3(9-2)6(7)8/h1H,4H2.
What are the key properties of 2-nitro-1,3-thiazol-5-amine?
2-nitro-1,3-thiazol-5-amine has a molecular weight of 145.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1,3-thiazol-5-amine is sourced from PubChem (CID 15238445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).