[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone

C18H23N3OS — CID 120632846

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2CCCCN2C(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C18H23N3OS/c1-13-5-7-14(8-6-13)16-4-2-3-11-21(16)18(22)15-12-23-17(20-15)9-10-19/h5-8,12,16H,2-4,9-11,19H2,1H3
InChIKeyAJEOBEBAZIDYTR-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.32
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone (PubChem CID 120632846) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone
PubChem CID120632846
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2CCCCN2C(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C18H23N3OS/c1-13-5-7-14(8-6-13)16-4-2-3-11-21(16)18(22)15-12-23-17(20-15)9-10-19/h5-8,12,16H,2-4,9-11,19H2,1H3
InChIKeyAJEOBEBAZIDYTR-UHFFFAOYSA-N
XLogP3.32
TPSA59.22 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95972666
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone
CID 120634300
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 120634912
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120630505
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120645469
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 66390645
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]methanone
CID 119889847
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 66389353

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone (CID 120632846) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone is Cc1ccc(C2CCCCN2C(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is AJEOBEBAZIDYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-5-7-14(8-6-13)16-4-2-3-11-21(16)18(22)15-12-23-17(20-15)9-10-19/h5-8,12,16H,2-4,9-11,19H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 120632846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).