[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride

C16H23ClN4O3S — CID 71783165

IUPAC[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCCc1nnsc1C(=O)N1CCN(CC(O)c2ccco2)CC1.Cl
InChIInChI=1S/C16H22N4O3S.ClH/c1-2-4-12-15(24-18-17-12)16(22)20-8-6-19(7-9-20)11-13(21)14-5-3-10-23-14;/h3,5,10,13,21H,2,4,6-9,11H2,1H3;1H
InChIKeyBVJAZCHMHZKDSE-UHFFFAOYSA-N
MW386.91 g/mol
LogP2.00
Rot. Bonds6

About [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride

[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride (PubChem CID 71783165) has the molecular formula C16H23ClN4O3S and a molecular weight of 386.91 g/mol. Its IUPAC name is [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
PubChem CID71783165
Molecular FormulaC16H23ClN4O3S
Molecular Weight386.91 g/mol
Exact Mass386.12
IUPAC Name[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCCc1nnsc1C(=O)N1CCN(CC(O)c2ccco2)CC1.Cl
InChIInChI=1S/C16H22N4O3S.ClH/c1-2-4-12-15(24-18-17-12)16(22)20-8-6-19(7-9-20)11-13(21)14-5-3-10-23-14;/h3,5,10,13,21H,2,4,6-9,11H2,1H3;1H
InChIKeyBVJAZCHMHZKDSE-UHFFFAOYSA-N
XLogP2.00
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride with MolForge

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Related Compounds

N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
(4-ethylthiadiazol-5-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95353960
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 71783190
6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 97038837
3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 65206219
cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
CID 71783234
furan-2-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097375
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 106837062
1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 97038886
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 86950816
1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone
CID 71783185

Frequently Asked Questions

What is the IUPAC name of [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride (CID 71783165) is [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride is CCCc1nnsc1C(=O)N1CCN(CC(O)c2ccco2)CC1.Cl.
What is the InChIKey of [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The InChIKey is BVJAZCHMHZKDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S.ClH/c1-2-4-12-15(24-18-17-12)16(22)20-8-6-19(7-9-20)11-13(21)14-5-3-10-23-14;/h3,5,10,13,21H,2,4,6-9,11H2,1H3;1H.
What are the key properties of [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride has a molecular weight of 386.91 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 71783165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).