N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine

C13H10N4S — CID 169101788

IUPACN-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESc1cncc(-c2cccc(Nc3nccs3)n2)c1
InChIInChI=1S/C13H10N4S/c1-4-11(10-3-2-6-14-9-10)16-12(5-1)17-13-15-7-8-18-13/h1-9H,(H,15,16,17)
InChIKeyKGGORPBMPAVEEC-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.34
Rot. Bonds3

About N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine

N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 169101788) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID169101788
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC NameN-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESc1cncc(-c2cccc(Nc3nccs3)n2)c1
InChIInChI=1S/C13H10N4S/c1-4-11(10-3-2-6-14-9-10)16-12(5-1)17-13-15-7-8-18-13/h1-9H,(H,15,16,17)
InChIKeyKGGORPBMPAVEEC-UHFFFAOYSA-N
XLogP3.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 169101788) is N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine is c1cncc(-c2cccc(Nc3nccs3)n2)c1.
What is the InChIKey of N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is KGGORPBMPAVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-4-11(10-3-2-6-14-9-10)16-12(5-1)17-13-15-7-8-18-13/h1-9H,(H,15,16,17).
What are the key properties of N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine?
N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 254.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 169101788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).