(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C14H22N4O2S — CID 96500686

IUPAC(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C14H22N4O2S/c1-2-10-13(21-16-15-10)14(20)18-8-6-17(7-9-18)11-4-3-5-12(11)19/h11-12,19H,2-9H2,1H3/t11-,12+/m0/s1
InChIKeyUYISQXSDHSCOKT-NWDGAFQWSA-N
MW310.42 g/mol
LogP0.77
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 96500686) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID96500686
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C14H22N4O2S/c1-2-10-13(21-16-15-10)14(20)18-8-6-17(7-9-18)11-4-3-5-12(11)19/h11-12,19H,2-9H2,1H3/t11-,12+/m0/s1
InChIKeyUYISQXSDHSCOKT-NWDGAFQWSA-N
XLogP0.77
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758964
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 56814277
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80660823
3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one
CID 114508168
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758886
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207
[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 96996371
(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 65205038

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 96500686) is (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is CCc1nnsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is UYISQXSDHSCOKT-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-10-13(21-16-15-10)14(20)18-8-6-17(7-9-18)11-4-3-5-12(11)19/h11-12,19H,2-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 310.42 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 96500686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).