N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C8H9N3S — CID 5169811

IUPACN-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cncc(NC2=NCCS2)c1
InChIInChI=1S/C8H9N3S/c1-2-7(6-9-3-1)11-8-10-4-5-12-8/h1-3,6H,4-5H2,(H,10,11)
InChIKeyULQUIWCIQNGLEN-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.60
Rot. Bonds1

About N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 5169811) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID5169811
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC NameN-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cncc(NC2=NCCS2)c1
InChIInChI=1S/C8H9N3S/c1-2-7(6-9-3-1)11-8-10-4-5-12-8/h1-3,6H,4-5H2,(H,10,11)
InChIKeyULQUIWCIQNGLEN-UHFFFAOYSA-N
XLogP1.60
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 5169811) is N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine is c1cncc(NC2=NCCS2)c1.
What is the InChIKey of N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ULQUIWCIQNGLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-2-7(6-9-3-1)11-8-10-4-5-12-8/h1-3,6H,4-5H2,(H,10,11).
What are the key properties of N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 179.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 5169811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).