[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C10H14BrN3OS — CID 80678677

IUPAC[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CBr)CC1
InChIInChI=1S/C10H14BrN3OS/c1-7-9(16-13-12-7)10(15)14-4-2-8(6-11)3-5-14/h8H,2-6H2,1H3
InChIKeyMVXQMHZJQHBXAP-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.09
Rot. Bonds2

About [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 80678677) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID80678677
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CBr)CC1
InChIInChI=1S/C10H14BrN3OS/c1-7-9(16-13-12-7)10(15)14-4-2-8(6-11)3-5-14/h8H,2-6H2,1H3
InChIKeyMVXQMHZJQHBXAP-UHFFFAOYSA-N
XLogP2.09
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.09
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-(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-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203
(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70758865
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
(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

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 80678677) is [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(CBr)CC1.
What is the InChIKey of [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is MVXQMHZJQHBXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c1-7-9(16-13-12-7)10(15)14-4-2-8(6-11)3-5-14/h8H,2-6H2,1H3.
What are the key properties of [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 304.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 80678677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).