N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine

C11H14N4S — CID 55025320

IUPACN'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESNCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C11H14N4S/c12-4-6-13-7-9-8-16-11(15-9)10-3-1-2-5-14-10/h1-3,5,8,13H,4,6-7,12H2
InChIKeyXPWZKILRQYFFKS-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.25
Rot. Bonds5

About N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine

N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 55025320) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID55025320
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESNCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C11H14N4S/c12-4-6-13-7-9-8-16-11(15-9)10-3-1-2-5-14-10/h1-3,5,8,13H,4,6-7,12H2
InChIKeyXPWZKILRQYFFKS-UHFFFAOYSA-N
XLogP1.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (CID 55025320) is N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is NCCNCc1csc(-c2ccccn2)n1.
What is the InChIKey of N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is XPWZKILRQYFFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c12-4-6-13-7-9-8-16-11(15-9)10-3-1-2-5-14-10/h1-3,5,8,13H,4,6-7,12H2.
What are the key properties of N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 234.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55025320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).