5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine

C10H10N4O3S — CID 79775255

IUPAC5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(OCc2cnc(N)s2)c([N+](=O)[O-])n1
InChIInChI=1S/C10H10N4O3S/c1-6-2-3-8(9(13-6)14(15)16)17-5-7-4-12-10(11)18-7/h2-4H,5H2,1H3,(H2,11,12)
InChIKeyLFTYCSNGTLFCMW-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.92
Rot. Bonds4

About 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine

5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine (PubChem CID 79775255) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine
PubChem CID79775255
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(OCc2cnc(N)s2)c([N+](=O)[O-])n1
InChIInChI=1S/C10H10N4O3S/c1-6-2-3-8(9(13-6)14(15)16)17-5-7-4-12-10(11)18-7/h2-4H,5H2,1H3,(H2,11,12)
InChIKeyLFTYCSNGTLFCMW-UHFFFAOYSA-N
XLogP1.92
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine (CID 79775255) is 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine is Cc1ccc(OCc2cnc(N)s2)c([N+](=O)[O-])n1.
What is the InChIKey of 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine?
The InChIKey is LFTYCSNGTLFCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-6-2-3-8(9(13-6)14(15)16)17-5-7-4-12-10(11)18-7/h2-4H,5H2,1H3,(H2,11,12).
What are the key properties of 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine?
5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine has a molecular weight of 266.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79775255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).