[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine

C15H26N4S — CID 63008864

IUPAC[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCC(CN3CCCC3)CC2)cs1
InChIInChI=1S/C15H26N4S/c16-9-15-17-14(12-20-15)11-19-7-3-13(4-8-19)10-18-5-1-2-6-18/h12-13H,1-11,16H2
InChIKeyZVOIXWUJVNZRCW-UHFFFAOYSA-N
MW294.47 g/mol
LogP1.91
Rot. Bonds5

About [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine

[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 63008864) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID63008864
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCC(CN3CCCC3)CC2)cs1
InChIInChI=1S/C15H26N4S/c16-9-15-17-14(12-20-15)11-19-7-3-13(4-8-19)10-18-5-1-2-6-18/h12-13H,1-11,16H2
InChIKeyZVOIXWUJVNZRCW-UHFFFAOYSA-N
XLogP1.91
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 126773878
[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62967066
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62431138
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62433618
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
CID 126781884
2-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384875
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
[5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 63009223
N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 71915898

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine (CID 63008864) is [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(CN2CCC(CN3CCCC3)CC2)cs1.
What is the InChIKey of [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is ZVOIXWUJVNZRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c16-9-15-17-14(12-20-15)11-19-7-3-13(4-8-19)10-18-5-1-2-6-18/h12-13H,1-11,16H2.
What are the key properties of [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine?
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 294.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 63008864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).