(5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C15H21N3O2S — CID 71998330

IUPAC(5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C3=NCC(C)S3)CC2)o1
InChIInChI=1S/C15H21N3O2S/c1-3-12-4-5-13(20-12)14(19)17-6-8-18(9-7-17)15-16-10-11(2)21-15/h4-5,11H,3,6-10H2,1-2H3
InChIKeyIIAFWVVVKODTCB-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.09
Rot. Bonds2

About (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 71998330) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID71998330
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C3=NCC(C)S3)CC2)o1
InChIInChI=1S/C15H21N3O2S/c1-3-12-4-5-13(20-12)14(19)17-6-8-18(9-7-17)15-16-10-11(2)21-15/h4-5,11H,3,6-10H2,1-2H3
InChIKeyIIAFWVVVKODTCB-UHFFFAOYSA-N
XLogP2.09
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 71998330) is (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C3=NCC(C)S3)CC2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is IIAFWVVVKODTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-12-4-5-13(20-12)14(19)17-6-8-18(9-7-17)15-16-10-11(2)21-15/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 307.42 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71998330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).