[2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone

C9H12ClN3OS — CID 65215333

IUPAC[2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCCCC1CCl
InChIInChI=1S/C9H12ClN3OS/c10-5-7-3-1-2-4-13(7)9(14)8-6-11-12-15-8/h6-7H,1-5H2
InChIKeyWJULCXSBRRWVOE-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.77
Rot. Bonds2

About [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone

[2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 65215333) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID65215333
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name[2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCCCC1CCl
InChIInChI=1S/C9H12ClN3OS/c10-5-7-3-1-2-4-13(7)9(14)8-6-11-12-15-8/h6-7H,1-5H2
InChIKeyWJULCXSBRRWVOE-UHFFFAOYSA-N
XLogP1.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.77
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

CID 60860192
CID 60860192
CID 18629416
CID 18629416
CID 43556239
CID 43556239
CID 61825566
CID 61825566
CID 64015122
CID 64015122
CID 65215279
CID 65215279
CID 65215280
CID 65215280
CID 65215281
CID 65215281
CID 65215330
CID 65215330
CID 65215331
CID 65215331
CID 65215332
CID 65215332
CID 65215353
CID 65215353

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone (CID 65215333) is [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCCCC1CCl.
What is the InChIKey of [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is WJULCXSBRRWVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c10-5-7-3-1-2-4-13(7)9(14)8-6-11-12-15-8/h6-7H,1-5H2.
What are the key properties of [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
[2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 245.73 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 65215333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).