2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole

C13H21N3S — CID 172900709

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
SMILESc1csc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C13H21N3S/c1-2-7-15(8-3-1)12-4-9-16(10-5-12)13-14-6-11-17-13/h6,11-12H,1-5,7-10H2
InChIKeyAUYJSJBJPNQSFE-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole

2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole (PubChem CID 172900709) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
PubChem CID172900709
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
SMILESc1csc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C13H21N3S/c1-2-7-15(8-3-1)12-4-9-16(10-5-12)13-14-6-11-17-13/h6,11-12H,1-5,7-10H2
InChIKeyAUYJSJBJPNQSFE-UHFFFAOYSA-N
XLogP2.60
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-amine
CID 62808150
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole
CID 143978128
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-ol
CID 60714895
2-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-1,3-thiazole
CID 167610027
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one
CID 79643158
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
CID 106838472
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate
CID 91284408

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole (CID 172900709) is 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole is c1csc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is AUYJSJBJPNQSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-7-15(8-3-1)12-4-9-16(10-5-12)13-14-6-11-17-13/h6,11-12H,1-5,7-10H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole?
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 172900709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).