[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

C15H23N3O2S — CID 82432380

IUPAC[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCCCc1nc(C2CCCO2)sc1C(=O)N1CCNCC1
InChIInChI=1S/C15H23N3O2S/c1-2-4-11-13(15(19)18-8-6-16-7-9-18)21-14(17-11)12-5-3-10-20-12/h12,16H,2-10H2,1H3
InChIKeyFWKJGWRBPQQQBM-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.99
Rot. Bonds4

About [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (PubChem CID 82432380) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
PubChem CID82432380
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCCCc1nc(C2CCCO2)sc1C(=O)N1CCNCC1
InChIInChI=1S/C15H23N3O2S/c1-2-4-11-13(15(19)18-8-6-16-7-9-18)21-14(17-11)12-5-3-10-20-12/h12,16H,2-10H2,1H3
InChIKeyFWKJGWRBPQQQBM-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (CID 82432380) is [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is CCCc1nc(C2CCCO2)sc1C(=O)N1CCNCC1.
What is the InChIKey of [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is FWKJGWRBPQQQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-4-11-13(15(19)18-8-6-16-7-9-18)21-14(17-11)12-5-3-10-20-12/h12,16H,2-10H2,1H3.
What are the key properties of [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 309.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82432380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).