1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one

C8H10ClNOS — CID 70896675

IUPAC1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one
SMILESCCC(=O)c1nc(Cl)sc1CC
InChIInChI=1S/C8H10ClNOS/c1-3-5(11)7-6(4-2)12-8(9)10-7/h3-4H2,1-2H3
InChIKeyVSCJUZMRTQWHJC-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.95
Rot. Bonds3

About 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one

1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 70896675) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID70896675
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one
SMILESCCC(=O)c1nc(Cl)sc1CC
InChIInChI=1S/C8H10ClNOS/c1-3-5(11)7-6(4-2)12-8(9)10-7/h3-4H2,1-2H3
InChIKeyVSCJUZMRTQWHJC-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one (CID 70896675) is 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one is CCC(=O)c1nc(Cl)sc1CC.
What is the InChIKey of 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is VSCJUZMRTQWHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-3-5(11)7-6(4-2)12-8(9)10-7/h3-4H2,1-2H3.
What are the key properties of 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one?
1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 203.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-ethyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 70896675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).