1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone

C15H18N2OS2 — CID 158982331

IUPAC1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone
SMILESCc1nc(C)c(-c2csc(CC(=O)C3CCCC3)n2)s1
InChIInChI=1S/C15H18N2OS2/c1-9-15(20-10(2)16-9)12-8-19-14(17-12)7-13(18)11-5-3-4-6-11/h8,11H,3-7H2,1-2H3
InChIKeyJPDSRRKWXUHOQE-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.19
Rot. Bonds4

About 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone

1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone (PubChem CID 158982331) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone
PubChem CID158982331
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone
SMILESCc1nc(C)c(-c2csc(CC(=O)C3CCCC3)n2)s1
InChIInChI=1S/C15H18N2OS2/c1-9-15(20-10(2)16-9)12-8-19-14(17-12)7-13(18)11-5-3-4-6-11/h8,11H,3-7H2,1-2H3
InChIKeyJPDSRRKWXUHOQE-UHFFFAOYSA-N
XLogP4.19
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone (CID 158982331) is 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone is Cc1nc(C)c(-c2csc(CC(=O)C3CCCC3)n2)s1.
What is the InChIKey of 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is JPDSRRKWXUHOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-9-15(20-10(2)16-9)12-8-19-14(17-12)7-13(18)11-5-3-4-6-11/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone?
1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 306.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 158982331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).