1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide

C12H18N4OS2 — CID 65205177

IUPAC1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
SMILESCCCc1nnsc1C(=O)N1CCCC(C(N)=S)C1
InChIInChI=1S/C12H18N4OS2/c1-2-4-9-10(19-15-14-9)12(17)16-6-3-5-8(7-16)11(13)18/h8H,2-7H2,1H3,(H2,13,18)
InChIKeyVSCZFLJQSXCKJC-UHFFFAOYSA-N
MW298.44 g/mol
LogP1.63
Rot. Bonds4

About 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide

1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide (PubChem CID 65205177) has the molecular formula C12H18N4OS2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide.

Molecular Properties

Compound Name1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
PubChem CID65205177
Molecular FormulaC12H18N4OS2
Molecular Weight298.44 g/mol
Exact Mass298.09
IUPAC Name1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
SMILESCCCc1nnsc1C(=O)N1CCCC(C(N)=S)C1
InChIInChI=1S/C12H18N4OS2/c1-2-4-9-10(19-15-14-9)12(17)16-6-3-5-8(7-16)11(13)18/h8H,2-7H2,1H3,(H2,13,18)
InChIKeyVSCZFLJQSXCKJC-UHFFFAOYSA-N
XLogP1.63
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632
(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 106837062
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 114960514
cyclobutyl-(4-propylthiadiazol-5-yl)methanone
CID 105133689
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide?
The IUPAC name of 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide (CID 65205177) is 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide.
What is the SMILES notation for 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide?
The canonical SMILES for 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide is CCCc1nnsc1C(=O)N1CCCC(C(N)=S)C1.
What is the InChIKey of 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide?
The InChIKey is VSCZFLJQSXCKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS2/c1-2-4-9-10(19-15-14-9)12(17)16-6-3-5-8(7-16)11(13)18/h8H,2-7H2,1H3,(H2,13,18).
What are the key properties of 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide?
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide has a molecular weight of 298.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide is sourced from PubChem (CID 65205177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).