[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone

C13H15N3OS2 — CID 71780427

IUPAC[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1nnc(C2CCN(C(=O)c3ccsc3)CC2)s1
InChIInChI=1S/C13H15N3OS2/c1-9-14-15-12(19-9)10-2-5-16(6-3-10)13(17)11-4-7-18-8-11/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyMLZAUSOLUFGLJO-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.93
Rot. Bonds2

About [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone

[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 71780427) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID71780427
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1nnc(C2CCN(C(=O)c3ccsc3)CC2)s1
InChIInChI=1S/C13H15N3OS2/c1-9-14-15-12(19-9)10-2-5-16(6-3-10)13(17)11-4-7-18-8-11/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyMLZAUSOLUFGLJO-UHFFFAOYSA-N
XLogP2.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 71793080
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 27782572
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 175652473
[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-phenylmethanone
CID 30863910
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110132844
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192432
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
N-(5-methyl-1,2-oxazol-3-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 39702361
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
(3-chlorophenyl)-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 30863924

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 71780427) is [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone is Cc1nnc(C2CCN(C(=O)c3ccsc3)CC2)s1.
What is the InChIKey of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is MLZAUSOLUFGLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-9-14-15-12(19-9)10-2-5-16(6-3-10)13(17)11-4-7-18-8-11/h4,7-8,10H,2-3,5-6H2,1H3.
What are the key properties of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 293.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 71780427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).