(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone

C10H14ClN3OS — CID 65207236

IUPAC(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Cl)C1
InChIInChI=1S/C10H14ClN3OS/c1-2-3-8-9(16-13-12-8)10(15)14-5-4-7(11)6-14/h7H,2-6H2,1H3
InChIKeyOOVMZSRASMLPQL-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.94
Rot. Bonds3

About (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone

(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 65207236) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID65207236
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Cl)C1
InChIInChI=1S/C10H14ClN3OS/c1-2-3-8-9(16-13-12-8)10(15)14-5-4-7(11)6-14/h7H,2-6H2,1H3
InChIKeyOOVMZSRASMLPQL-UHFFFAOYSA-N
XLogP1.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.94
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-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 106837062
(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632
(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 71805668
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 114960514
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
CID 65205177
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65205088

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (CID 65207236) is (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(Cl)C1.
What is the InChIKey of (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is OOVMZSRASMLPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-2-3-8-9(16-13-12-8)10(15)14-5-4-7(11)6-14/h7H,2-6H2,1H3.
What are the key properties of (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 259.76 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65207236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).