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

C11H15NOS — CID 130625476

IUPAC(2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCCC2C)sn1
InChIInChI=1S/C11H15NOS/c1-7-4-3-5-9(7)11(13)10-6-8(2)12-14-10/h6-7,9H,3-5H2,1-2H3
InChIKeyAGOREJRQPXWTMU-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.07
Rot. Bonds2

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

(2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone (PubChem CID 130625476) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone
PubChem CID130625476
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCCC2C)sn1
InChIInChI=1S/C11H15NOS/c1-7-4-3-5-9(7)11(13)10-6-8(2)12-14-10/h6-7,9H,3-5H2,1-2H3
InChIKeyAGOREJRQPXWTMU-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The IUPAC name of (2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone (CID 130625476) is (2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone.
What is the SMILES notation for (2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The canonical SMILES for (2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone is Cc1cc(C(=O)C2CCCC2C)sn1.
What is the InChIKey of (2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The InChIKey is AGOREJRQPXWTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-4-3-5-9(7)11(13)10-6-8(2)12-14-10/h6-7,9H,3-5H2,1-2H3.
What are the key properties of (2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone?
(2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone has a molecular weight of 209.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone is sourced from PubChem (CID 130625476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).