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

C18H23N3OS2 — CID 71780429

IUPAC[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1nnc(C2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)s1
InChIInChI=1S/C18H23N3OS2/c1-13-19-20-16(24-13)14-6-10-21(11-7-14)17(22)18(8-2-3-9-18)15-5-4-12-23-15/h4-5,12,14H,2-3,6-11H2,1H3
InChIKeyZKSWGWZRNBYVIR-UHFFFAOYSA-N
MW361.54 g/mol
LogP4.13
Rot. Bonds3

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

[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 71780429) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID71780429
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC Name[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1nnc(C2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)s1
InChIInChI=1S/C18H23N3OS2/c1-13-19-20-16(24-13)14-6-10-21(11-7-14)17(22)18(8-2-3-9-18)15-5-4-12-23-15/h4-5,12,14H,2-3,6-11H2,1H3
InChIKeyZKSWGWZRNBYVIR-UHFFFAOYSA-N
XLogP4.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine
CID 30864084
2-(4-(Isopropylthio)phenyl)-1-(4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)ethanone
CID 71780428
(4-(((4,5-Dihydrothiazol-2-yl)thio)methyl)piperidin-1-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 71801045
(1-(Thiophen-2-yl)cyclopentyl)(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 90539972
(3-(5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 121069810
(1-thiophen-2-ylcyclopentyl)-[4-(5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]methanone
CID 45504300
1-{4-[5-(Propan-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
CID 45540340
(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 45540810
(E)-1-(4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 71780410
1-(4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 71780414
3-Cyclopentyl-1-[8-(2-thiophen-2-ylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one
CID 4590498
(4-Methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 71780429) is [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is Cc1nnc(C2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)s1.
What is the InChIKey of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is ZKSWGWZRNBYVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-13-19-20-16(24-13)14-6-10-21(11-7-14)17(22)18(8-2-3-9-18)15-5-4-12-23-15/h4-5,12,14H,2-3,6-11H2,1H3.
What are the key properties of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 361.54 g/mol, XLogP of 4.13, 3 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]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 71780429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).