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

C18H23N3OS — CID 24817118

IUPAC[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cscn3)C2)cc1
InChIInChI=1S/C18H23N3OS/c1-13(2)14-5-7-15(8-6-14)20-16-4-3-9-21(10-16)18(22)17-11-23-12-19-17/h5-8,11-13,16,20H,3-4,9-10H2,1-2H3
InChIKeyFMOJWDDPQOCIRK-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.98
Rot. Bonds4

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

[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 24817118) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID24817118
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cscn3)C2)cc1
InChIInChI=1S/C18H23N3OS/c1-13(2)14-5-7-15(8-6-14)20-16-4-3-9-21(10-16)18(22)17-11-23-12-19-17/h5-8,11-13,16,20H,3-4,9-10H2,1-2H3
InChIKeyFMOJWDDPQOCIRK-UHFFFAOYSA-N
XLogP3.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 24817118) is [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is CC(C)c1ccc(NC2CCCN(C(=O)c3cscn3)C2)cc1.
What is the InChIKey of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is FMOJWDDPQOCIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13(2)14-5-7-15(8-6-14)20-16-4-3-9-21(10-16)18(22)17-11-23-12-19-17/h5-8,11-13,16,20H,3-4,9-10H2,1-2H3.
What are the key properties of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 329.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24817118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).