[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

C17H22N4OS — CID 24816955

IUPAC[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cnsn3)C2)cc1
InChIInChI=1S/C17H22N4OS/c1-12(2)13-5-7-14(8-6-13)19-15-4-3-9-21(11-15)17(22)16-10-18-23-20-16/h5-8,10,12,15,19H,3-4,9,11H2,1-2H3
InChIKeyISUYDEQDTBRAGX-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.38
Rot. Bonds4

About [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 24816955) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID24816955
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cnsn3)C2)cc1
InChIInChI=1S/C17H22N4OS/c1-12(2)13-5-7-14(8-6-13)19-15-4-3-9-21(11-15)17(22)16-10-18-23-20-16/h5-8,10,12,15,19H,3-4,9,11H2,1-2H3
InChIKeyISUYDEQDTBRAGX-UHFFFAOYSA-N
XLogP3.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 24816955) is [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is CC(C)c1ccc(NC2CCCN(C(=O)c3cnsn3)C2)cc1.
What is the InChIKey of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is ISUYDEQDTBRAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12(2)13-5-7-14(8-6-13)19-15-4-3-9-21(11-15)17(22)16-10-18-23-20-16/h5-8,10,12,15,19H,3-4,9,11H2,1-2H3.
What are the key properties of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 330.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 24816955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).