(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone

C18H23N3O2S — CID 120816382

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1ccc(-c2ncc(C(=O)N3CCC(N)C(C)(C)C3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-18(2)11-21(9-8-15(18)19)17(22)14-10-20-16(24-14)12-4-6-13(23-3)7-5-12/h4-7,10,15H,8-9,11,19H2,1-3H3
InChIKeyXTNGDHBYGGYJMH-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.02
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone (PubChem CID 120816382) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
PubChem CID120816382
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1ccc(-c2ncc(C(=O)N3CCC(N)C(C)(C)C3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-18(2)11-21(9-8-15(18)19)17(22)14-10-20-16(24-14)12-4-6-13(23-3)7-5-12/h4-7,10,15H,8-9,11,19H2,1-3H3
InChIKeyXTNGDHBYGGYJMH-UHFFFAOYSA-N
XLogP3.02
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone (CID 120816382) is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone is COc1ccc(-c2ncc(C(=O)N3CCC(N)C(C)(C)C3)s2)cc1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is XTNGDHBYGGYJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-18(2)11-21(9-8-15(18)19)17(22)14-10-20-16(24-14)12-4-6-13(23-3)7-5-12/h4-7,10,15H,8-9,11,19H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 120816382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).