(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C9H12ClN3OS — CID 65198933

IUPAC(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Cl)C1
InChIInChI=1S/C9H12ClN3OS/c1-6-8(15-12-11-6)9(14)13-4-2-3-7(10)5-13/h7H,2-5H2,1H3
InChIKeyWLCOWMKPPQEBNE-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.69
Rot. Bonds1

About (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 65198933) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID65198933
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Cl)C1
InChIInChI=1S/C9H12ClN3OS/c1-6-8(15-12-11-6)9(14)13-4-2-3-7(10)5-13/h7H,2-5H2,1H3
InChIKeyWLCOWMKPPQEBNE-UHFFFAOYSA-N
XLogP1.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918213
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65244992
[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 129356851
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
[(3S)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 97414875
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 25380199

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 65198933) is (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCC(Cl)C1.
What is the InChIKey of (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is WLCOWMKPPQEBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c1-6-8(15-12-11-6)9(14)13-4-2-3-7(10)5-13/h7H,2-5H2,1H3.
What are the key properties of (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 245.73 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65198933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).