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

C13H23ClN4O2S — CID 71783259

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCCc1nnsc1C(=O)N1CCN(CC(C)O)CC1.Cl
InChIInChI=1S/C13H22N4O2S.ClH/c1-3-4-11-12(20-15-14-11)13(19)17-7-5-16(6-8-17)9-10(2)18;/h10,18H,3-9H2,1-2H3;1H
InChIKeyJFKQXFOBOJFSQF-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.05
Rot. Bonds5

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

[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride (PubChem CID 71783259) has the molecular formula C13H23ClN4O2S and a molecular weight of 334.87 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
PubChem CID71783259
Molecular FormulaC13H23ClN4O2S
Molecular Weight334.87 g/mol
Exact Mass334.12
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCCc1nnsc1C(=O)N1CCN(CC(C)O)CC1.Cl
InChIInChI=1S/C13H22N4O2S.ClH/c1-3-4-11-12(20-15-14-11)13(19)17-7-5-16(6-8-17)9-10(2)18;/h10,18H,3-9H2,1-2H3;1H
InChIKeyJFKQXFOBOJFSQF-UHFFFAOYSA-N
XLogP1.05
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 53618603
(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53626744
[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71783029
[4-(2-Hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71783260
(2,6-Dimethylmorpholin-4-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 45796002
(4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone hydrochloride
CID 71783028
(4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 94202934
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-4-propylthiadiazole-5-carboxamide
CID 125520907
4-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 105648620
N-(3,3-difluoro-2-hydroxypropyl)-4-propylthiadiazole-5-carboxamide
CID 105649059
N-(2-hydroxyethyl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107483362
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-propylthiadiazole-5-carboxamide
CID 113964728

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride (CID 71783259) is [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride is CCCc1nnsc1C(=O)N1CCN(CC(C)O)CC1.Cl.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
The InChIKey is JFKQXFOBOJFSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.ClH/c1-3-4-11-12(20-15-14-11)13(19)17-7-5-16(6-8-17)9-10(2)18;/h10,18H,3-9H2,1-2H3;1H.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride?
[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 71783259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).