N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine

C15H21N5S — CID 105072687

IUPACN-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H21N5S/c1-2-16-11-13-3-4-17-12-14(13)19-6-8-20(9-7-19)15-18-5-10-21-15/h3-5,10,12,16H,2,6-9,11H2,1H3
InChIKeyCASJDODYMNADML-UHFFFAOYSA-N
MW303.44 g/mol
LogP1.97
Rot. Bonds5

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

N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine (PubChem CID 105072687) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine
PubChem CID105072687
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H21N5S/c1-2-16-11-13-3-4-17-12-14(13)19-6-8-20(9-7-19)15-18-5-10-21-15/h3-5,10,12,16H,2,6-9,11H2,1H3
InChIKeyCASJDODYMNADML-UHFFFAOYSA-N
XLogP1.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methanamine
CID 105072686
2-[4-[4-(chloromethyl)-3-pyridinyl]piperazin-1-yl]-1,3-thiazole
CID 105067252
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
CID 105073842
N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 105073768
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044
N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 105072830
N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247052
N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
CID 118883278
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine (CID 105072687) is N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine?
The InChIKey is CASJDODYMNADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-2-16-11-13-3-4-17-12-14(13)19-6-8-20(9-7-19)15-18-5-10-21-15/h3-5,10,12,16H,2,6-9,11H2,1H3.
What are the key properties of N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine?
N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine has a molecular weight of 303.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105072687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).