(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone

C9H12ClN3OS — CID 114683044

IUPAC(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
SMILESCC1CN(C(=O)c2cnns2)CCC1Cl
InChIInChI=1S/C9H12ClN3OS/c1-6-5-13(3-2-7(6)10)9(14)8-4-11-12-15-8/h4,6-7H,2-3,5H2,1H3
InChIKeyOZMKKIWTFWXZHV-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.63
Rot. Bonds1

About (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone

(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone (PubChem CID 114683044) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
PubChem CID114683044
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
SMILESCC1CN(C(=O)c2cnns2)CCC1Cl
InChIInChI=1S/C9H12ClN3OS/c1-6-5-13(3-2-7(6)10)9(14)8-4-11-12-15-8/h4,6-7H,2-3,5H2,1H3
InChIKeyOZMKKIWTFWXZHV-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
CID 114682903
[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 60958313
(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
CID 114683018
ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 43623389
(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 102788006
(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 114683220
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone
CID 65215593
(2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
CID 71877252
(4-chloro-3-methylpiperidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802438
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 139019899

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone (CID 114683044) is (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone is CC1CN(C(=O)c2cnns2)CCC1Cl.
What is the InChIKey of (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone?
The InChIKey is OZMKKIWTFWXZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c1-6-5-13(3-2-7(6)10)9(14)8-4-11-12-15-8/h4,6-7H,2-3,5H2,1H3.
What are the key properties of (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone?
(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone has a molecular weight of 245.73 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 114683044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).