4-(1,3-thiazol-2-yl)butyl formate

C8H11NO2S — CID 87852462

IUPAC4-(1,3-thiazol-2-yl)butyl formate
SMILESO=COCCCCc1nccs1
InChIInChI=1S/C8H11NO2S/c10-7-11-5-2-1-3-8-9-4-6-12-8/h4,6-7H,1-3,5H2
InChIKeyYRSVXCIRJFVPKN-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.64
Rot. Bonds6

About 4-(1,3-thiazol-2-yl)butyl formate

4-(1,3-thiazol-2-yl)butyl formate (PubChem CID 87852462) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)butyl formate.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)butyl formate
PubChem CID87852462
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-(1,3-thiazol-2-yl)butyl formate
SMILESO=COCCCCc1nccs1
InChIInChI=1S/C8H11NO2S/c10-7-11-5-2-1-3-8-9-4-6-12-8/h4,6-7H,1-3,5H2
InChIKeyYRSVXCIRJFVPKN-UHFFFAOYSA-N
XLogP1.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-thiazol-2-yl)propanal;hydrobromide
CID 87751457
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
18-phenyloctadecyl formate
CID 173425595
4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine
CID 115889738
7-azabicyclo[2.2.1]hepta-1,3,5-triene;2-pentyl-1,3-thiazole
CID 67464970
ethane;2-(1,3-thiazol-2-yl)ethyl nitrate
CID 143199743
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
2-(3-thiophen-2-ylpropyl)-1,3-thiazole
CID 141496467

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)butyl formate?
The IUPAC name of 4-(1,3-thiazol-2-yl)butyl formate (CID 87852462) is 4-(1,3-thiazol-2-yl)butyl formate.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)butyl formate?
The canonical SMILES for 4-(1,3-thiazol-2-yl)butyl formate is O=COCCCCc1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)butyl formate?
The InChIKey is YRSVXCIRJFVPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-7-11-5-2-1-3-8-9-4-6-12-8/h4,6-7H,1-3,5H2.
What are the key properties of 4-(1,3-thiazol-2-yl)butyl formate?
4-(1,3-thiazol-2-yl)butyl formate has a molecular weight of 185.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)butyl formate is sourced from PubChem (CID 87852462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).