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

C9H14N4OS — CID 80615337

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C9H14N4OS/c1-6-2-4-13(5-3-6)8(14)7-11-12-9(10)15-7/h6H,2-5H2,1H3,(H2,10,12)
InChIKeyCKWQXTRBXKVKEK-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.99
Rot. Bonds1

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

(5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 80615337) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID80615337
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C9H14N4OS/c1-6-2-4-13(5-3-6)8(14)7-11-12-9(10)15-7/h6H,2-5H2,1H3,(H2,10,12)
InChIKeyCKWQXTRBXKVKEK-UHFFFAOYSA-N
XLogP0.99
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611
(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-propylpiperidin-1-yl)methanone
CID 80616319
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 80616823
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 80615425
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80618423
(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)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80618421
(5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 113399539
4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
CID 80615710
1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide
CID 80625054
(5-amino-1,3,4-thiadiazol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 80616835

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 80615337) is (5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2nnc(N)s2)CC1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CKWQXTRBXKVKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-2-4-13(5-3-6)8(14)7-11-12-9(10)15-7/h6H,2-5H2,1H3,(H2,10,12).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.99, 1 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80615337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).