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

C13H22N4O2S — CID 71783260

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(CC(C)O)CC1
InChIInChI=1S/C13H22N4O2S/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
InChIKeyOYQGVEBTVNJYRP-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.63
Rot. Bonds5

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

[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 71783260) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID71783260
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(CC(C)O)CC1
InChIInChI=1S/C13H22N4O2S/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
InChIKeyOYQGVEBTVNJYRP-UHFFFAOYSA-N
XLogP0.63
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.63
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
[2-Methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 110249187
(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-(2-Hydroxypropyl)piperazin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone hydrochloride
CID 71783259
(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

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 71783260) is [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCN(CC(C)O)CC1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is OYQGVEBTVNJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/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.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[4-(2-hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 298.41 g/mol, XLogP of 0.63, 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 is sourced from PubChem (CID 71783260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).