cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone

C10H11NOS — CID 131119087

IUPACcyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2=CCCC2)sn1
InChIInChI=1S/C10H11NOS/c1-7-6-9(13-11-7)10(12)8-4-2-3-5-8/h4,6H,2-3,5H2,1H3
InChIKeyUZSBMPITTXCUTG-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.74
Rot. Bonds2

About cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone

cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone (PubChem CID 131119087) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone
PubChem CID131119087
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Namecyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2=CCCC2)sn1
InChIInChI=1S/C10H11NOS/c1-7-6-9(13-11-7)10(12)8-4-2-3-5-8/h4,6H,2-3,5H2,1H3
InChIKeyUZSBMPITTXCUTG-UHFFFAOYSA-N
XLogP2.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone (CID 131119087) is cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone is Cc1cc(C(=O)C2=CCCC2)sn1.
What is the InChIKey of cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone?
The InChIKey is UZSBMPITTXCUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7-6-9(13-11-7)10(12)8-4-2-3-5-8/h4,6H,2-3,5H2,1H3.
What are the key properties of cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone?
cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone has a molecular weight of 193.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(3-methyl-1,2-thiazol-5-yl)methanone is sourced from PubChem (CID 131119087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).