N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine

C12H9N3S2 — CID 649291

IUPACN-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3cccs3)cs2)nc1
InChIInChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15)
InChIKeyFHPWUMPMAJGLKK-UHFFFAOYSA-N
MW259.36 g/mol
LogP4.01
Rot. Bonds3

About N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine

N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 649291) has the molecular formula C12H9N3S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID649291
Molecular FormulaC12H9N3S2
Molecular Weight259.36 g/mol
Exact Mass259.02
IUPAC NameN-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3cccs3)cs2)nc1
InChIInChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15)
InChIKeyFHPWUMPMAJGLKK-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 649291) is N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine is c1ccc(Nc2nc(-c3cccs3)cs2)nc1.
What is the InChIKey of N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is FHPWUMPMAJGLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15).
What are the key properties of N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 259.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 649291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).