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

C17H21N3O2S — CID 4519833

IUPAC[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-7-9-20(10-8-12)16(21)15-11-23-17(19-15)18-13-3-5-14(22-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)
InChIKeyQHHMGNMLPPWWIO-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.77
Rot. Bonds4

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

[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 4519833) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID4519833
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-7-9-20(10-8-12)16(21)15-11-23-17(19-15)18-13-3-5-14(22-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)
InChIKeyQHHMGNMLPPWWIO-UHFFFAOYSA-N
XLogP3.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 4519833) is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QHHMGNMLPPWWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-7-9-20(10-8-12)16(21)15-11-23-17(19-15)18-13-3-5-14(22-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,19).
What are the key properties of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4519833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).