4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole

C8H12ClNO2S — CID 83152492

IUPAC4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole
SMILESCC(C)OCCOc1nc(Cl)cs1
InChIInChI=1S/C8H12ClNO2S/c1-6(2)11-3-4-12-8-10-7(9)5-13-8/h5-6H,3-4H2,1-2H3
InChIKeyFEYNIMSMTIOBAE-UHFFFAOYSA-N
MW221.71 g/mol
LogP2.60
Rot. Bonds5

About 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole

4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole (PubChem CID 83152492) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole
PubChem CID83152492
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Name4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole
SMILESCC(C)OCCOc1nc(Cl)cs1
InChIInChI=1S/C8H12ClNO2S/c1-6(2)11-3-4-12-8-10-7(9)5-13-8/h5-6H,3-4H2,1-2H3
InChIKeyFEYNIMSMTIOBAE-UHFFFAOYSA-N
XLogP2.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-pentoxy-1,3-thiazole
CID 83152735
2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole
CID 83152624
4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole
CID 106447494
2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
CID 62859308
3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine
CID 61268038
2-fluoro-6-(2-propan-2-yloxyethoxy)pyridine
CID 61229543
2,6-dichloro-3-(2-propan-2-yloxyethoxymethyl)pyridine
CID 106994443
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine
CID 80859965
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
CID 83152491
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole
CID 83153578
2-propan-2-yloxyethyl 4-chloropyridine-2-carboxylate
CID 60705355

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole (CID 83152492) is 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole is CC(C)OCCOc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole?
The InChIKey is FEYNIMSMTIOBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S/c1-6(2)11-3-4-12-8-10-7(9)5-13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole?
4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole has a molecular weight of 221.71 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-propan-2-yloxyethoxy)-1,3-thiazole is sourced from PubChem (CID 83152492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).