2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine

C7H11N3O2S — CID 82397310

IUPAC2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1nc(C(C)(C)N)sc1[N+](=O)[O-]
InChIInChI=1S/C7H11N3O2S/c1-4-5(10(11)12)13-6(9-4)7(2,3)8/h8H2,1-3H3
InChIKeyZQINUSBCLFOHTH-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.55
Rot. Bonds2

About 2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine

2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 82397310) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine
PubChem CID82397310
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1nc(C(C)(C)N)sc1[N+](=O)[O-]
InChIInChI=1S/C7H11N3O2S/c1-4-5(10(11)12)13-6(9-4)7(2,3)8/h8H2,1-3H3
InChIKeyZQINUSBCLFOHTH-UHFFFAOYSA-N
XLogP1.55
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.55
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-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine (CID 82397310) is 2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine is Cc1nc(C(C)(C)N)sc1[N+](=O)[O-].
What is the InChIKey of 2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is ZQINUSBCLFOHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4-5(10(11)12)13-6(9-4)7(2,3)8/h8H2,1-3H3.
What are the key properties of 2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine?
2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 201.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-nitro-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 82397310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).