(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone

C8H10ClN3OS — CID 65216412

IUPAC(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCC(Cl)CC1
InChIInChI=1S/C8H10ClN3OS/c9-6-1-3-12(4-2-6)8(13)7-5-14-11-10-7/h5-6H,1-4H2
InChIKeyWZMHFJQCSXUDJZ-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.38
Rot. Bonds1

About (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone

(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone (PubChem CID 65216412) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
PubChem CID65216412
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCC(Cl)CC1
InChIInChI=1S/C8H10ClN3OS/c9-6-1-3-12(4-2-6)8(13)7-5-14-11-10-7/h5-6H,1-4H2
InChIKeyWZMHFJQCSXUDJZ-UHFFFAOYSA-N
XLogP1.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.38
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

1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973
2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 65214503
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
CID 131683997
[(3aS,7aS)-5-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(thiadiazol-4-yl)methanone
CID 131689115
[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 92632709
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 23587399
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone (CID 65216412) is (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCC(Cl)CC1.
What is the InChIKey of (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is WZMHFJQCSXUDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-6-1-3-12(4-2-6)8(13)7-5-14-11-10-7/h5-6H,1-4H2.
What are the key properties of (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone?
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 231.71 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 65216412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).