3-azido-1-(1,2-thiazol-3-yl)propan-1-ol

C6H8N4OS — CID 91451221

IUPAC3-azido-1-(1,2-thiazol-3-yl)propan-1-ol
SMILES[N-]=[N+]=NCCC(O)c1ccsn1
InChIInChI=1S/C6H8N4OS/c7-10-8-3-1-6(11)5-2-4-12-9-5/h2,4,6,11H,1,3H2
InChIKeyFICORXNBAMUGLT-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.88
Rot. Bonds4

About 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol

3-azido-1-(1,2-thiazol-3-yl)propan-1-ol (PubChem CID 91451221) has the molecular formula C6H8N4OS and a molecular weight of 184.22 g/mol. Its IUPAC name is 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-azido-1-(1,2-thiazol-3-yl)propan-1-ol
PubChem CID91451221
Molecular FormulaC6H8N4OS
Molecular Weight184.22 g/mol
Exact Mass184.04
IUPAC Name3-azido-1-(1,2-thiazol-3-yl)propan-1-ol
SMILES[N-]=[N+]=NCCC(O)c1ccsn1
InChIInChI=1S/C6H8N4OS/c7-10-8-3-1-6(11)5-2-4-12-9-5/h2,4,6,11H,1,3H2
InChIKeyFICORXNBAMUGLT-UHFFFAOYSA-N
XLogP1.88
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131067597
2,2-Difluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131096578
2,2,2-Trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131163031
1-(Isothiazol-3-yl)ethanol
CID 19017861
4-Methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
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3-Chloro-1-(1,2-thiazol-3-yl)propan-1-ol
CID 69648256
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
1-(1,2-Thiazol-3-yl)propane-1,2-diol
CID 130604797
2-Methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol
CID 130671124
2,2-Dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 130727781

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol?
The IUPAC name of 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol (CID 91451221) is 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol?
The canonical SMILES for 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol is [N-]=[N+]=NCCC(O)c1ccsn1.
What is the InChIKey of 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol?
The InChIKey is FICORXNBAMUGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS/c7-10-8-3-1-6(11)5-2-4-12-9-5/h2,4,6,11H,1,3H2.
What are the key properties of 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol?
3-azido-1-(1,2-thiazol-3-yl)propan-1-ol has a molecular weight of 184.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(1,2-thiazol-3-yl)propan-1-ol is sourced from PubChem (CID 91451221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).