[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C11H18N4OS — CID 82755339

IUPAC[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C11H18N4OS/c1-3-4-9-10(17-14-13-9)11(16)15-6-5-12-7-8(15)2/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyKKQARCVPJNNXNH-QMMMGPOBSA-N
MW254.36 g/mol
LogP0.92
Rot. Bonds3

About [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 82755339) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID82755339
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C11H18N4OS/c1-3-4-9-10(17-14-13-9)11(16)15-6-5-12-7-8(15)2/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyKKQARCVPJNNXNH-QMMMGPOBSA-N
XLogP0.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755954
(4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470559
(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 65210533
(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 113284369
(2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65461323
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide
CID 77059648
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 65209829
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
(5-ethyl-1H-1,2,4-triazol-3-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755340

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 82755339) is [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCNC[C@@H]1C.
What is the InChIKey of [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is KKQARCVPJNNXNH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-4-9-10(17-14-13-9)11(16)15-6-5-12-7-8(15)2/h8,12H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 82755339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).