(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone

C13H21N5O2S — CID 116668787

IUPAC(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1nc(N2CCNCC2)sc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H21N5O2S/c14-11-10(12(20)17-5-1-9(19)2-6-17)21-13(16-11)18-7-3-15-4-8-18/h9,15,19H,1-8,14H2
InChIKeyOHMQJLUXJVQYRZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP-0.27
Rot. Bonds2

About (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone

(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 116668787) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID116668787
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1nc(N2CCNCC2)sc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H21N5O2S/c14-11-10(12(20)17-5-1-9(19)2-6-17)21-13(16-11)18-7-3-15-4-8-18/h9,15,19H,1-8,14H2
InChIKeyOHMQJLUXJVQYRZ-UHFFFAOYSA-N
XLogP-0.27
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663332
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 116665678
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663346
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
[4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 116670854
4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide
CID 116673887
4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116671944
4-amino-2-piperazin-1-yl-N-(thiolan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 107299087

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 116668787) is (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone is Nc1nc(N2CCNCC2)sc1C(=O)N1CCC(O)CC1.
What is the InChIKey of (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is OHMQJLUXJVQYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c14-11-10(12(20)17-5-1-9(19)2-6-17)21-13(16-11)18-7-3-15-4-8-18/h9,15,19H,1-8,14H2.
What are the key properties of (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 311.41 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 116668787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).