4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine

C15H14N4S — CID 103382621

IUPAC4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2ccccn2)c1-c1ccccc1
InChIInChI=1S/C15H14N4S/c16-14-13(11-6-2-1-3-7-11)15(20-19-14)18-10-12-8-4-5-9-17-12/h1-9,18H,10H2,(H2,16,19)
InChIKeyGCZWQEOMIDKONO-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.40
Rot. Bonds4

About 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine

4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103382621) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103382621
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2ccccn2)c1-c1ccccc1
InChIInChI=1S/C15H14N4S/c16-14-13(11-6-2-1-3-7-11)15(20-19-14)18-10-12-8-4-5-9-17-12/h1-9,18H,10H2,(H2,16,19)
InChIKeyGCZWQEOMIDKONO-UHFFFAOYSA-N
XLogP3.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103382621) is 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCc2ccccn2)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is GCZWQEOMIDKONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c16-14-13(11-6-2-1-3-7-11)15(20-19-14)18-10-12-8-4-5-9-17-12/h1-9,18H,10H2,(H2,16,19).
What are the key properties of 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine?
4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 282.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103382621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).