(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

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

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Related Compounds

(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 95905591
2-[4-(5-ethylfuran-2-carbonyl)piperazin-1-yl]acetonitrile
CID 79001404
1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427788
2-[4-(5-ethylfuran-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 56819097
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95350387
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
CID 63125392
1-(5-ethylfuran-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523042
[3-(bromomethyl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 80667487
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-(5-ethylfuran-2-yl)methanone
CID 95630042

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).