[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone

C14H23N3OS — CID 3713443

IUPAC[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCCCC(N)c1nc(C(=O)N2CCCCC2C)cs1
InChIInChI=1S/C14H23N3OS/c1-3-6-11(15)13-16-12(9-19-13)14(18)17-8-5-4-7-10(17)2/h9-11H,3-8,15H2,1-2H3
InChIKeyKSZUGXHJGJKUOB-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.96
Rot. Bonds4

About [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone

[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 3713443) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID3713443
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCCCC(N)c1nc(C(=O)N2CCCCC2C)cs1
InChIInChI=1S/C14H23N3OS/c1-3-6-11(15)13-16-12(9-19-13)14(18)17-8-5-4-7-10(17)2/h9-11H,3-8,15H2,1-2H3
InChIKeyKSZUGXHJGJKUOB-UHFFFAOYSA-N
XLogP2.96
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylazepan-1-yl)methanone
CID 104689698
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone
CID 66389004
4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 141489183
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
CID 3775706
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3875834
[2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 174945292
2-[1-[(2-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373887
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
(3S,8aS)-2-[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazole-4-carbonyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137340989
(5-amino-1-ethylpyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 122171469
[(2S)-2-cyclopentylpyrrolidin-1-yl]-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methanone
CID 97215370

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 3713443) is [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone is CCCC(N)c1nc(C(=O)N2CCCCC2C)cs1.
What is the InChIKey of [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is KSZUGXHJGJKUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-6-11(15)13-16-12(9-19-13)14(18)17-8-5-4-7-10(17)2/h9-11H,3-8,15H2,1-2H3.
What are the key properties of [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 281.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3713443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).