2-azido-1-(5-methylthiophen-2-yl)ethanol

C7H9N3OS — CID 83093251

IUPAC2-azido-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)CN=[N+]=[N-])s1
InChIInChI=1S/C7H9N3OS/c1-5-2-3-7(12-5)6(11)4-9-10-8/h2-3,6,11H,4H2,1H3
InChIKeyYJQDCEAKQLPKCS-UHFFFAOYSA-N
MW183.24 g/mol
LogP2.40
Rot. Bonds3

About 2-azido-1-(5-methylthiophen-2-yl)ethanol

2-azido-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 83093251) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-azido-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-azido-1-(5-methylthiophen-2-yl)ethanol
PubChem CID83093251
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-azido-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)CN=[N+]=[N-])s1
InChIInChI=1S/C7H9N3OS/c1-5-2-3-7(12-5)6(11)4-9-10-8/h2-3,6,11H,4H2,1H3
InChIKeyYJQDCEAKQLPKCS-UHFFFAOYSA-N
XLogP2.40
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-chloro-1-(5-methylthiophen-2-yl)ethanol
CID 83001254
5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 115515429
(1R)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83093060
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
4-methoxy-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 105109245
2-azido-1-[4-(2-methylpropyl)phenyl]ethanol
CID 80503327
2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 61099304
1-(5-methylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79824094
2-azido-1-(2-bromophenyl)ethanol
CID 57429240
2-azido-1-(2-chlorophenyl)ethanol
CID 86674103
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-azido-1-(5-methylthiophen-2-yl)ethanol (CID 83093251) is 2-azido-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-azido-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-azido-1-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(O)CN=[N+]=[N-])s1.
What is the InChIKey of 2-azido-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is YJQDCEAKQLPKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-5-2-3-7(12-5)6(11)4-9-10-8/h2-3,6,11H,4H2,1H3.
What are the key properties of 2-azido-1-(5-methylthiophen-2-yl)ethanol?
2-azido-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 183.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 83093251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).