(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone

C11H18N4OS — CID 80616319

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C11H18N4OS/c1-2-3-8-4-6-15(7-5-8)10(16)9-13-14-11(12)17-9/h8H,2-7H2,1H3,(H2,12,14)
InChIKeyWFTNJHIBYSOODV-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.77
Rot. Bonds3

About (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone

(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 80616319) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone
PubChem CID80616319
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C11H18N4OS/c1-2-3-8-4-6-15(7-5-8)10(16)9-13-14-11(12)17-9/h8H,2-7H2,1H3,(H2,12,14)
InChIKeyWFTNJHIBYSOODV-UHFFFAOYSA-N
XLogP1.77
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1,3,4-thiadiazol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 80615672
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 80615337
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 80616823
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80618421
(5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80616567
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80618423
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 102705488
2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide
CID 80625458
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone (CID 80616319) is (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2nnc(N)s2)CC1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is WFTNJHIBYSOODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-3-8-4-6-15(7-5-8)10(16)9-13-14-11(12)17-9/h8H,2-7H2,1H3,(H2,12,14).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone?
(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 80616319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).