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

C13H21N3OS — CID 66389004

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CCC(C)N(C(=O)c2csc(C(C)N)n2)C1
InChIInChI=1S/C13H21N3OS/c1-8-4-5-9(2)16(6-8)13(17)11-7-18-12(15-11)10(3)14/h7-10H,4-6,14H2,1-3H3
InChIKeyYXHRLMIKXMHYFU-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.42
Rot. Bonds2

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

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone (PubChem CID 66389004) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone
PubChem CID66389004
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CCC(C)N(C(=O)c2csc(C(C)N)n2)C1
InChIInChI=1S/C13H21N3OS/c1-8-4-5-9(2)16(6-8)13(17)11-7-18-12(15-11)10(3)14/h7-10H,4-6,14H2,1-3H3
InChIKeyYXHRLMIKXMHYFU-UHFFFAOYSA-N
XLogP2.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 3713443
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697235
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylazepan-1-yl)methanone
CID 104689698
1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 66390837
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2,6-dimethylazepan-1-yl)methanone;hydrochloride
CID 120634134
2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66389764
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957497
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone (CID 66389004) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone is CC1CCC(C)N(C(=O)c2csc(C(C)N)n2)C1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is YXHRLMIKXMHYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-4-5-9(2)16(6-8)13(17)11-7-18-12(15-11)10(3)14/h7-10H,4-6,14H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 267.40 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 66389004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).