5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

C15H21N5S — CID 103360163

IUPAC5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCN2CCCCC2)c1-c1ccncc1
InChIInChI=1S/C15H21N5S/c16-14-13(12-4-6-17-7-5-12)15(21-19-14)18-8-11-20-9-2-1-3-10-20/h4-7,18H,1-3,8-11H2,(H2,16,19)
InChIKeyULGDJQJJGLXFBB-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.69
Rot. Bonds5

About 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (PubChem CID 103360163) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
PubChem CID103360163
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCN2CCCCC2)c1-c1ccncc1
InChIInChI=1S/C15H21N5S/c16-14-13(12-4-6-17-7-5-12)15(21-19-14)18-8-11-20-9-2-1-3-10-20/h4-7,18H,1-3,8-11H2,(H2,16,19)
InChIKeyULGDJQJJGLXFBB-UHFFFAOYSA-N
XLogP2.69
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol
CID 103359777
2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol
CID 103360990
5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103359870
5-N-[2-(azepan-1-yl)ethyl]-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359429
4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365701
4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365005
ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103361131
N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride
CID 11151770
5-N-[(1,1-dioxothiolan-3-yl)methyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103359263
4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103379011
4-pyridin-4-yl-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103363995

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (CID 103360163) is 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is Nc1nsc(NCCN2CCCCC2)c1-c1ccncc1.
What is the InChIKey of 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The InChIKey is ULGDJQJJGLXFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c16-14-13(12-4-6-17-7-5-12)15(21-19-14)18-8-11-20-9-2-1-3-10-20/h4-7,18H,1-3,8-11H2,(H2,16,19).
What are the key properties of 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine has a molecular weight of 303.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-piperidin-1-ylethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).