2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone

C14H19NOS — CID 103448116

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone
SMILESCC(C)(C)c1csc(CC(=O)C2=CCCC2)n1
InChIInChI=1S/C14H19NOS/c1-14(2,3)12-9-17-13(15-12)8-11(16)10-6-4-5-7-10/h6,9H,4-5,7-8H2,1-3H3
InChIKeyOMNBFOBGCMESDY-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.66
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone (PubChem CID 103448116) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone
PubChem CID103448116
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone
SMILESCC(C)(C)c1csc(CC(=O)C2=CCCC2)n1
InChIInChI=1S/C14H19NOS/c1-14(2,3)12-9-17-13(15-12)8-11(16)10-6-4-5-7-10/h6,9H,4-5,7-8H2,1-3H3
InChIKeyOMNBFOBGCMESDY-UHFFFAOYSA-N
XLogP3.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone (CID 103448116) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone is CC(C)(C)c1csc(CC(=O)C2=CCCC2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone?
The InChIKey is OMNBFOBGCMESDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-14(2,3)12-9-17-13(15-12)8-11(16)10-6-4-5-7-10/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone has a molecular weight of 249.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 103448116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).