4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol

C8H12N4O3S — CID 171878964

IUPAC4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ncc(CO)s1
InChIInChI=1S/C8H12N4O3S/c9-12-11-2-1-6(14)7(15)8-10-3-5(4-13)16-8/h3,6-7,13-15H,1-2,4H2
InChIKeyVRLPQBQFJBVJDC-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.73
Rot. Bonds6

About 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol

4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol (PubChem CID 171878964) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol
PubChem CID171878964
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ncc(CO)s1
InChIInChI=1S/C8H12N4O3S/c9-12-11-2-1-6(14)7(15)8-10-3-5(4-13)16-8/h3,6-7,13-15H,1-2,4H2
InChIKeyVRLPQBQFJBVJDC-UHFFFAOYSA-N
XLogP0.73
TPSA122.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol 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

methyl 2-(4-azido-1,2-dihydroxybutyl)-1,3-thiazole-5-carboxylate
CID 171879551
1-(2-aminopyrimidin-5-yl)-4-azidobutane-1,2-diol
CID 171878981
4-azido-1-(2-fluoropyrimidin-5-yl)butane-1,2-diol
CID 171878905
4-azido-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171878904
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971
4-azido-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butane-1,2-diol
CID 171879530
4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol
CID 171878849
3-azido-1-(5-nitro-1,3-thiazol-2-yl)propane-1,2-diol
CID 170825704
1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171879144
4-azido-1-(5-hydroxy-3-pyridinyl)butane-1,2-diol
CID 171878967

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol?
The IUPAC name of 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol (CID 171878964) is 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol.
What is the SMILES notation for 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol?
The canonical SMILES for 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1ncc(CO)s1.
What is the InChIKey of 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol?
The InChIKey is VRLPQBQFJBVJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-12-11-2-1-6(14)7(15)8-10-3-5(4-13)16-8/h3,6-7,13-15H,1-2,4H2.
What are the key properties of 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol?
4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol has a molecular weight of 244.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol is sourced from PubChem (CID 171878964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).