4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine

C10H7N3S — CID 11564671

IUPAC4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine
SMILESNc1nc(C#Cc2cccnc2)cs1
InChIInChI=1S/C10H7N3S/c11-10-13-9(7-14-10)4-3-8-2-1-5-12-6-8/h1-2,5-7H,(H2,11,13)
InChIKeyBQUGCIBMYSKXRH-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.52
Rot. Bonds

About 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine

4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine (PubChem CID 11564671) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine
PubChem CID11564671
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine
SMILESNc1nc(C#Cc2cccnc2)cs1
InChIInChI=1S/C10H7N3S/c11-10-13-9(7-14-10)4-3-8-2-1-5-12-6-8/h1-2,5-7H,(H2,11,13)
InChIKeyBQUGCIBMYSKXRH-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine (CID 11564671) is 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine is Nc1nc(C#Cc2cccnc2)cs1.
What is the InChIKey of 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine?
The InChIKey is BQUGCIBMYSKXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c11-10-13-9(7-14-10)4-3-8-2-1-5-12-6-8/h1-2,5-7H,(H2,11,13).
What are the key properties of 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine?
4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine has a molecular weight of 201.25 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 11564671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).