N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine

C12H8ClN5S — CID 122192412

IUPACN-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3cccnn3)cs2)nc1
InChIInChI=1S/C12H8ClN5S/c13-8-3-4-11(14-6-8)17-12-16-10(7-19-12)9-2-1-5-15-18-9/h1-7H,(H,14,16,17)
InChIKeyFKZNSIHOSQHFPQ-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.39
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine

N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine (PubChem CID 122192412) has the molecular formula C12H8ClN5S and a molecular weight of 289.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine
PubChem CID122192412
Molecular FormulaC12H8ClN5S
Molecular Weight289.75 g/mol
Exact Mass289.02
IUPAC NameN-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3cccnn3)cs2)nc1
InChIInChI=1S/C12H8ClN5S/c13-8-3-4-11(14-6-8)17-12-16-10(7-19-12)9-2-1-5-15-18-9/h1-7H,(H,14,16,17)
InChIKeyFKZNSIHOSQHFPQ-UHFFFAOYSA-N
XLogP3.39
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine (CID 122192412) is N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine is Clc1ccc(Nc2nc(-c3cccnn3)cs2)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine?
The InChIKey is FKZNSIHOSQHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5S/c13-8-3-4-11(14-6-8)17-12-16-10(7-19-12)9-2-1-5-15-18-9/h1-7H,(H,14,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine?
N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine has a molecular weight of 289.75 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 122192412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).