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

C16H19N3O2S — CID 119380053

IUPAC(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1ccc(-c2ncc(C(=O)N3CCCC(N)C3)s2)cc1
InChIInChI=1S/C16H19N3O2S/c1-21-13-6-4-11(5-7-13)15-18-9-14(22-15)16(20)19-8-2-3-12(17)10-19/h4-7,9,12H,2-3,8,10,17H2,1H3
InChIKeyBISXQSGRELJTEZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.38
Rot. Bonds3

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

(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone (PubChem CID 119380053) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
PubChem CID119380053
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1ccc(-c2ncc(C(=O)N3CCCC(N)C3)s2)cc1
InChIInChI=1S/C16H19N3O2S/c1-21-13-6-4-11(5-7-13)15-18-9-14(22-15)16(20)19-8-2-3-12(17)10-19/h4-7,9,12H,2-3,8,10,17H2,1H3
InChIKeyBISXQSGRELJTEZ-UHFFFAOYSA-N
XLogP2.38
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491471
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540953
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 120816382
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 71994882
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579116
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
CID 119377484
(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
CID 139004966
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119378470
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 125135338

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone (CID 119380053) is (3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone is COc1ccc(-c2ncc(C(=O)N3CCCC(N)C3)s2)cc1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is BISXQSGRELJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-13-6-4-11(5-7-13)15-18-9-14(22-15)16(20)19-8-2-3-12(17)10-19/h4-7,9,12H,2-3,8,10,17H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone?
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 317.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 119380053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).