1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol

C6H7N3O3S — CID 102771598

IUPAC1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol
SMILESO=[N+]([O-])c1cnc(N2CC(O)C2)s1
InChIInChI=1S/C6H7N3O3S/c10-4-2-8(3-4)6-7-1-5(13-6)9(11)12/h1,4,10H,2-3H2
InChIKeyUARNMOZSMJMHME-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.23
Rot. Bonds2

About 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol

1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol (PubChem CID 102771598) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol
PubChem CID102771598
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol
SMILESO=[N+]([O-])c1cnc(N2CC(O)C2)s1
InChIInChI=1S/C6H7N3O3S/c10-4-2-8(3-4)6-7-1-5(13-6)9(11)12/h1,4,10H,2-3H2
InChIKeyUARNMOZSMJMHME-UHFFFAOYSA-N
XLogP0.23
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol 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-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106877
1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol
CID 102771627
3-(5-nitro-1,3-thiazol-2-yl)-1,5,3-dithiazocane
CID 125488442
[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 102771576
methyl 1-(5-nitro-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 102771809
4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile
CID 102770047
2-methyl-2-[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]propanoic acid
CID 102769991
3-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-ol
CID 102771643
actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
CID 59036757
1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol
CID 131042044
N-[[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methyl]propan-2-amine
CID 102771315
1-[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 11515675

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol?
The IUPAC name of 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol (CID 102771598) is 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol is O=[N+]([O-])c1cnc(N2CC(O)C2)s1.
What is the InChIKey of 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol?
The InChIKey is UARNMOZSMJMHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c10-4-2-8(3-4)6-7-1-5(13-6)9(11)12/h1,4,10H,2-3H2.
What are the key properties of 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol?
1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol has a molecular weight of 201.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol is sourced from PubChem (CID 102771598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).