furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C16H21N3O2S — CID 134052464

IUPACfuran-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCCc1nc(CN2CCN(C(=O)c3ccco3)CC2)cs1
InChIInChI=1S/C16H21N3O2S/c1-2-4-15-17-13(12-22-15)11-18-6-8-19(9-7-18)16(20)14-5-3-10-21-14/h3,5,10,12H,2,4,6-9,11H2,1H3
InChIKeyQMPSWAIKDVZOKD-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.65
Rot. Bonds5

About furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 134052464) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID134052464
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Namefuran-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCCc1nc(CN2CCN(C(=O)c3ccco3)CC2)cs1
InChIInChI=1S/C16H21N3O2S/c1-2-4-15-17-13(12-22-15)11-18-6-8-19(9-7-18)16(20)14-5-3-10-21-14/h3,5,10,12H,2,4,6-9,11H2,1H3
InChIKeyQMPSWAIKDVZOKD-UHFFFAOYSA-N
XLogP2.65
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37377664
furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 37376323
N-(2-ethylphenyl)-N-[4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78815757
furan-2-yl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158649
(3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 78850827
1-(furan-2-yl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethane-1,2-dione
CID 77081258
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
[4-(furan-2-yl)phenyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 90653085
(2-propyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70735530
furan-2-yl-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 171997967

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 134052464) is furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is CCCc1nc(CN2CCN(C(=O)c3ccco3)CC2)cs1.
What is the InChIKey of furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is QMPSWAIKDVZOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-4-15-17-13(12-22-15)11-18-6-8-19(9-7-18)16(20)14-5-3-10-21-14/h3,5,10,12H,2,4,6-9,11H2,1H3.
What are the key properties of furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 319.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 134052464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).