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

C15H15N5S — CID 103364167

IUPAC4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2ccncc2)c1-c1cccnc1
InChIInChI=1S/C15H15N5S/c16-14-13(12-2-1-6-18-10-12)15(21-20-14)19-9-5-11-3-7-17-8-4-11/h1-4,6-8,10,19H,5,9H2,(H2,16,20)
InChIKeyOFDJJJYEPDGYMA-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.84
Rot. Bonds5

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

4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364167) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
PubChem CID103364167
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2ccncc2)c1-c1cccnc1
InChIInChI=1S/C15H15N5S/c16-14-13(12-2-1-6-18-10-12)15(21-20-14)19-9-5-11-3-7-17-8-4-11/h1-4,6-8,10,19H,5,9H2,(H2,16,20)
InChIKeyOFDJJJYEPDGYMA-UHFFFAOYSA-N
XLogP2.84
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine (CID 103364167) is 4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCCc2ccncc2)c1-c1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is OFDJJJYEPDGYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c16-14-13(12-2-1-6-18-10-12)15(21-20-14)19-9-5-11-3-7-17-8-4-11/h1-4,6-8,10,19H,5,9H2,(H2,16,20).
What are the key properties of 4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 297.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).