4-nitro-2,3-dihydro-1,3-thiazole

C3H4N2O2S — CID 173057172

IUPAC4-nitro-2,3-dihydro-1,3-thiazole
SMILESO=[N+]([O-])C1=CSCN1
InChIInChI=1S/C3H4N2O2S/c6-5(7)3-1-8-2-4-3/h1,4H,2H2
InChIKeySIOYRFYZOPTZEB-UHFFFAOYSA-N
MW132.14 g/mol
LogP0.36
Rot. Bonds1

About 4-nitro-2,3-dihydro-1,3-thiazole

4-nitro-2,3-dihydro-1,3-thiazole (PubChem CID 173057172) has the molecular formula C3H4N2O2S and a molecular weight of 132.14 g/mol. Its IUPAC name is 4-nitro-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-nitro-2,3-dihydro-1,3-thiazole
PubChem CID173057172
Molecular FormulaC3H4N2O2S
Molecular Weight132.14 g/mol
Exact Mass132.00
IUPAC Name4-nitro-2,3-dihydro-1,3-thiazole
SMILESO=[N+]([O-])C1=CSCN1
InChIInChI=1S/C3H4N2O2S/c6-5(7)3-1-8-2-4-3/h1,4H,2H2
InChIKeySIOYRFYZOPTZEB-UHFFFAOYSA-N
XLogP0.36
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-nitro-2,3-dihydro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Nitro-4-thiazoline
CID 66826124
2-Nitro-2,3-dihydro-1,3-thiazole
CID 66670328
2-(nitromethylidene)-3H-1,3-thiazole
CID 70491981
N-methyl-2-methylsulfanyl-1-nitroethenamine
CID 87973047
5-nitro-3,4-dihydro-2H-1,3-thiazol-4-ylium-2-amine
CID 123288350
5-Nitro-2,3-dihydro-1,3-thiazol-2-amine
CID 129182230
2-amino-5-nitro-3H-1,3-thiazole-2-diazonium
CID 141515329
5-nitro-3H-1,3-thiazole-2,2-diamine
CID 151012023
5-amino-2-nitro-3H-1,3-thiazole-2-diazonium
CID 175302544

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-nitro-2,3-dihydro-1,3-thiazole (CID 173057172) is 4-nitro-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-nitro-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-nitro-2,3-dihydro-1,3-thiazole is O=[N+]([O-])C1=CSCN1.
What is the InChIKey of 4-nitro-2,3-dihydro-1,3-thiazole?
The InChIKey is SIOYRFYZOPTZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2S/c6-5(7)3-1-8-2-4-3/h1,4H,2H2.
What are the key properties of 4-nitro-2,3-dihydro-1,3-thiazole?
4-nitro-2,3-dihydro-1,3-thiazole has a molecular weight of 132.14 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 173057172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).