(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C9H12BrN3OS — CID 80661773

IUPAC(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(Br)CC1
InChIInChI=1S/C9H12BrN3OS/c1-6-8(15-12-11-6)9(14)13-4-2-7(10)3-5-13/h7H,2-5H2,1H3
InChIKeyOYIMEUZELGIPKL-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.85
Rot. Bonds1

About (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 80661773) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID80661773
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC Name(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(Br)CC1
InChIInChI=1S/C9H12BrN3OS/c1-6-8(15-12-11-6)9(14)13-4-2-7(10)3-5-13/h7H,2-5H2,1H3
InChIKeyOYIMEUZELGIPKL-UHFFFAOYSA-N
XLogP1.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.85
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

[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 80678677
[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 60958310
[4-(aminomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride
CID 127266388
(4-bromopiperidin-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 80662682
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918213
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
[(3S)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 97414875
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156473

Frequently Asked Questions

What is the IUPAC name of (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 80661773) is (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(Br)CC1.
What is the InChIKey of (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is OYIMEUZELGIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3OS/c1-6-8(15-12-11-6)9(14)13-4-2-7(10)3-5-13/h7H,2-5H2,1H3.
What are the key properties of (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 290.19 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 80661773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).