2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole

C14H24N4S — CID 104594689

IUPAC2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESCC1(CN2CCN(c3nccs3)CC2)CCCCN1
InChIInChI=1S/C14H24N4S/c1-14(4-2-3-5-16-14)12-17-7-9-18(10-8-17)13-15-6-11-19-13/h6,11,16H,2-5,7-10,12H2,1H3
InChIKeyCSDHZPFJNAZIAX-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole

2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 104594689) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
PubChem CID104594689
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESCC1(CN2CCN(c3nccs3)CC2)CCCCN1
InChIInChI=1S/C14H24N4S/c1-14(4-2-3-5-16-14)12-17-7-9-18(10-8-17)13-15-6-11-19-13/h6,11,16H,2-5,7-10,12H2,1H3
InChIKeyCSDHZPFJNAZIAX-UHFFFAOYSA-N
XLogP1.80
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride
CID 57394134
1-[2-(1-Piperidyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3003035
1-(1,3-Thiazol-2-yl)piperidin-4-amine
CID 43430566
[1-(1,3-Thiazol-2-yl)piperidin-3-yl]methanamine
CID 61797814
3-{[4-(1,3-Thiazol-2-YL)piperazin-1-YL]methyl}piperidin-3-OL
CID 70757341
N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
CID 125526772
N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 138042313
N-(1-propylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 134908076
N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 57394135
1,1,1-Trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-3-amine
CID 61646899
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62557306
4-(1,3-thiazol-2-yl)-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111822563

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole (CID 104594689) is 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole is CC1(CN2CCN(c3nccs3)CC2)CCCCN1.
What is the InChIKey of 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is CSDHZPFJNAZIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-14(4-2-3-5-16-14)12-17-7-9-18(10-8-17)13-15-6-11-19-13/h6,11,16H,2-5,7-10,12H2,1H3.
What are the key properties of 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 280.44 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 104594689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).