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

C19H25N3O2S — CID 24816858

IUPAC[3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3csc(C(C)C)n3)C2)cc1
InChIInChI=1S/C19H25N3O2S/c1-13(2)18-21-17(12-25-18)19(23)22-10-4-5-15(11-22)20-14-6-8-16(24-3)9-7-14/h6-9,12-13,15,20H,4-5,10-11H2,1-3H3
InChIKeyRHRRAQPHABLKHD-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.99
Rot. Bonds5

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

[3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 24816858) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is [3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID24816858
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name[3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3csc(C(C)C)n3)C2)cc1
InChIInChI=1S/C19H25N3O2S/c1-13(2)18-21-17(12-25-18)19(23)22-10-4-5-15(11-22)20-14-6-8-16(24-3)9-7-14/h6-9,12-13,15,20H,4-5,10-11H2,1-3H3
InChIKeyRHRRAQPHABLKHD-UHFFFAOYSA-N
XLogP3.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 24816858) is [3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is COc1ccc(NC2CCCN(C(=O)c3csc(C(C)C)n3)C2)cc1.
What is the InChIKey of [3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is RHRRAQPHABLKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13(2)18-21-17(12-25-18)19(23)22-10-4-5-15(11-22)20-14-6-8-16(24-3)9-7-14/h6-9,12-13,15,20H,4-5,10-11H2,1-3H3.
What are the key properties of [3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
[3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 359.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyanilino)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24816858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).