(4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C10H17ClN4OS — CID 119470559

IUPAC(4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCc1nnsc1C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-3-8-9(16-13-12-8)10(15)14-5-4-11-6-7(14)2;/h7,11H,3-6H2,1-2H3;1H
InChIKeySJNVKXIHBMBCOQ-UHFFFAOYSA-N
MW276.79 g/mol
LogP0.96
Rot. Bonds2

About (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119470559) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119470559
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name(4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCc1nnsc1C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-3-8-9(16-13-12-8)10(15)14-5-4-11-6-7(14)2;/h7,11H,3-6H2,1-2H3;1H
InChIKeySJNVKXIHBMBCOQ-UHFFFAOYSA-N
XLogP0.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755339
[(2R)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755954
(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 65210533
(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755340
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
[1-(3-methylbutyl)triazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470313
(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 113284369
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
(1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471291
(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569786
(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649161
3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one
CID 65210016

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119470559) is (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CCc1nnsc1C(=O)N1CCNCC1C.Cl.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is SJNVKXIHBMBCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS.ClH/c1-3-8-9(16-13-12-8)10(15)14-5-4-11-6-7(14)2;/h7,11H,3-6H2,1-2H3;1H.
What are the key properties of (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119470559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).