3-(1-chloroethyl)-1,2-thiazole

C5H6ClNS — CID 130920926

IUPAC3-(1-chloroethyl)-1,2-thiazole
SMILESCC(Cl)c1ccsn1
InChIInChI=1S/C5H6ClNS/c1-4(6)5-2-3-8-7-5/h2-4H,1H3
InChIKeyLICIKNWSOMFNCC-UHFFFAOYSA-N
MW147.63 g/mol
LogP2.44
Rot. Bonds1

About 3-(1-chloroethyl)-1,2-thiazole

3-(1-chloroethyl)-1,2-thiazole (PubChem CID 130920926) has the molecular formula C5H6ClNS and a molecular weight of 147.63 g/mol. Its IUPAC name is 3-(1-chloroethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(1-chloroethyl)-1,2-thiazole
PubChem CID130920926
Molecular FormulaC5H6ClNS
Molecular Weight147.63 g/mol
Exact Mass146.99
IUPAC Name3-(1-chloroethyl)-1,2-thiazole
SMILESCC(Cl)c1ccsn1
InChIInChI=1S/C5H6ClNS/c1-4(6)5-2-3-8-7-5/h2-4H,1H3
InChIKeyLICIKNWSOMFNCC-UHFFFAOYSA-N
XLogP2.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.63
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-bromoethyl)-1,2-thiazole
CID 20550122
1-(1,2-thiazol-3-yl)propane-1,2-diol
CID 130604797
3-(1,2-thiazol-3-yl)butan-1-amine
CID 126985785
2-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 131020007
2,2-dimethyl-1-(1,2-thiazol-3-yl)propan-1-amine
CID 131088967
N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine
CID 130667241
2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol
CID 130752198
1-(1,2-thiazol-3-yl)octylindigane
CID 173228993
1-(1,2-thiazol-3-yl)but-3-en-1-amine
CID 130632089
(2-methyl-1,3-oxazol-4-yl)-(1,2-thiazol-3-yl)methanol
CID 130927982
(1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol
CID 130632212
2-cyclopropyl-1-(1,2-thiazol-3-yl)ethanol
CID 130736308

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-1,2-thiazole?
The IUPAC name of 3-(1-chloroethyl)-1,2-thiazole (CID 130920926) is 3-(1-chloroethyl)-1,2-thiazole.
What is the SMILES notation for 3-(1-chloroethyl)-1,2-thiazole?
The canonical SMILES for 3-(1-chloroethyl)-1,2-thiazole is CC(Cl)c1ccsn1.
What is the InChIKey of 3-(1-chloroethyl)-1,2-thiazole?
The InChIKey is LICIKNWSOMFNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS/c1-4(6)5-2-3-8-7-5/h2-4H,1H3.
What are the key properties of 3-(1-chloroethyl)-1,2-thiazole?
3-(1-chloroethyl)-1,2-thiazole has a molecular weight of 147.63 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-1,2-thiazole is sourced from PubChem (CID 130920926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).