N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

C15H21N5S — CID 62749888

IUPACN-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(N2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C15H21N5S/c1-12(16-2)13-11-18-15(21-13)20-9-7-19(8-10-20)14-5-3-4-6-17-14/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyUNBNWQIHJGMMBW-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.15
Rot. Bonds4

About N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62749888) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62749888
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(N2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C15H21N5S/c1-12(16-2)13-11-18-15(21-13)20-9-7-19(8-10-20)14-5-3-4-6-17-14/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyUNBNWQIHJGMMBW-UHFFFAOYSA-N
XLogP2.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine
CID 62752084
N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 62753754
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
N-methyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 62967417
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62754570
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 117083304
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine
CID 13345125
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
CID 62423507

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 62749888) is N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(N2CCN(c3ccccn3)CC2)s1.
What is the InChIKey of N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is UNBNWQIHJGMMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-12(16-2)13-11-18-15(21-13)20-9-7-19(8-10-20)14-5-3-4-6-17-14/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 303.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62749888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).