5-chloro-4-ethyl-1,2-thiazole

C5H6ClNS — CID 90447788

IUPAC5-chloro-4-ethyl-1,2-thiazole
SMILESCCc1cnsc1Cl
InChIInChI=1S/C5H6ClNS/c1-2-4-3-7-8-5(4)6/h3H,2H2,1H3
InChIKeyAYLFRHCFUCRSHG-UHFFFAOYSA-N
MW147.63 g/mol
LogP2.36
Rot. Bonds1

About 5-chloro-4-ethyl-1,2-thiazole

5-chloro-4-ethyl-1,2-thiazole (PubChem CID 90447788) has the molecular formula C5H6ClNS and a molecular weight of 147.63 g/mol. Its IUPAC name is 5-chloro-4-ethyl-1,2-thiazole.

Molecular Properties

Compound Name5-chloro-4-ethyl-1,2-thiazole
PubChem CID90447788
Molecular FormulaC5H6ClNS
Molecular Weight147.63 g/mol
Exact Mass146.99
IUPAC Name5-chloro-4-ethyl-1,2-thiazole
SMILESCCc1cnsc1Cl
InChIInChI=1S/C5H6ClNS/c1-2-4-3-7-8-5(4)6/h3H,2H2,1H3
InChIKeyAYLFRHCFUCRSHG-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-1,2-thiazole?
The IUPAC name of 5-chloro-4-ethyl-1,2-thiazole (CID 90447788) is 5-chloro-4-ethyl-1,2-thiazole.
What is the SMILES notation for 5-chloro-4-ethyl-1,2-thiazole?
The canonical SMILES for 5-chloro-4-ethyl-1,2-thiazole is CCc1cnsc1Cl.
What is the InChIKey of 5-chloro-4-ethyl-1,2-thiazole?
The InChIKey is AYLFRHCFUCRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS/c1-2-4-3-7-8-5(4)6/h3H,2H2,1H3.
What are the key properties of 5-chloro-4-ethyl-1,2-thiazole?
5-chloro-4-ethyl-1,2-thiazole has a molecular weight of 147.63 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-1,2-thiazole is sourced from PubChem (CID 90447788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).