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

C12H19N3OS — CID 65199184

IUPAC[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(CCN)CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-9-14-11(8-17-9)12(16)15-6-3-10(2-5-13)4-7-15/h8,10H,2-7,13H2,1H3
InChIKeyRLJYQGBCMHERMS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.65
Rot. Bonds3

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

[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 65199184) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID65199184
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(CCN)CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-9-14-11(8-17-9)12(16)15-6-3-10(2-5-13)4-7-15/h8,10H,2-7,13H2,1H3
InChIKeyRLJYQGBCMHERMS-UHFFFAOYSA-N
XLogP1.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 114801324
[3-(bromomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80667838
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396
3-[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]propanoic acid
CID 66389927
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110645973
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 47444332
6-cyclopropyl-2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865169
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethylazepan-1-yl)methanone
CID 66390147

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 65199184) is [4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC(CCN)CC2)cs1.
What is the InChIKey of [4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is RLJYQGBCMHERMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-14-11(8-17-9)12(16)15-6-3-10(2-5-13)4-7-15/h8,10H,2-7,13H2,1H3.
What are the key properties of [4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 65199184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).