[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine

C14H19N5S — CID 106905543

IUPAC[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(CN2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H19N5S/c15-10-12-2-1-3-13(17-12)11-18-5-7-19(8-6-18)14-16-4-9-20-14/h1-4,9H,5-8,10-11,15H2
InChIKeyOTHKSVCPGXSRAU-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.32
Rot. Bonds4

About [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine

[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine (PubChem CID 106905543) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
PubChem CID106905543
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(CN2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H19N5S/c15-10-12-2-1-3-13(17-12)11-18-5-7-19(8-6-18)14-16-4-9-20-14/h1-4,9H,5-8,10-11,15H2
InChIKeyOTHKSVCPGXSRAU-UHFFFAOYSA-N
XLogP1.32
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 79243138
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 114327008
2-fluoro-3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
CID 107347197
[6-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437203
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879
[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106905629
5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine
CID 169040469
[3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 62471212
7-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245920
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
CID 107208200

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine (CID 106905543) is [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine is NCc1cccc(CN2CCN(c3nccs3)CC2)n1.
What is the InChIKey of [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine?
The InChIKey is OTHKSVCPGXSRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c15-10-12-2-1-3-13(17-12)11-18-5-7-19(8-6-18)14-16-4-9-20-14/h1-4,9H,5-8,10-11,15H2.
What are the key properties of [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine?
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine has a molecular weight of 289.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106905543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).