4-chloro-5-ethyl-1,3-thiazole;ethane

C7H12ClNS — CID 144700185

IUPAC4-chloro-5-ethyl-1,3-thiazole;ethane
SMILESCC.CCc1scnc1Cl
InChIInChI=1S/C5H6ClNS.C2H6/c1-2-4-5(6)7-3-8-4;1-2/h3H,2H2,1H3;1-2H3
InChIKeyIBEFBSPKIFQCAZ-UHFFFAOYSA-N
MW177.70 g/mol
LogP3.39
Rot. Bonds1

About 4-chloro-5-ethyl-1,3-thiazole;ethane

4-chloro-5-ethyl-1,3-thiazole;ethane (PubChem CID 144700185) has the molecular formula C7H12ClNS and a molecular weight of 177.70 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name4-chloro-5-ethyl-1,3-thiazole;ethane
PubChem CID144700185
Molecular FormulaC7H12ClNS
Molecular Weight177.70 g/mol
Exact Mass177.04
IUPAC Name4-chloro-5-ethyl-1,3-thiazole;ethane
SMILESCC.CCc1scnc1Cl
InChIInChI=1S/C5H6ClNS.C2H6/c1-2-4-5(6)7-3-8-4;1-2/h3H,2H2,1H3;1-2H3
InChIKeyIBEFBSPKIFQCAZ-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.70
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-1,3-thiazole;ethane?
The IUPAC name of 4-chloro-5-ethyl-1,3-thiazole;ethane (CID 144700185) is 4-chloro-5-ethyl-1,3-thiazole;ethane.
What is the SMILES notation for 4-chloro-5-ethyl-1,3-thiazole;ethane?
The canonical SMILES for 4-chloro-5-ethyl-1,3-thiazole;ethane is CC.CCc1scnc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-1,3-thiazole;ethane?
The InChIKey is IBEFBSPKIFQCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS.C2H6/c1-2-4-5(6)7-3-8-4;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of 4-chloro-5-ethyl-1,3-thiazole;ethane?
4-chloro-5-ethyl-1,3-thiazole;ethane has a molecular weight of 177.70 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1,3-thiazole;ethane is sourced from PubChem (CID 144700185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).