N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine

C9H9N3S — CID 46398715

IUPACN-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESC=CCNc1nc2cnccc2s1
InChIInChI=1S/C9H9N3S/c1-2-4-11-9-12-7-6-10-5-3-8(7)13-9/h2-3,5-6H,1,4H2,(H,11,12)
InChIKeyOZGCIJOJWXGABE-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.29
Rot. Bonds3

About N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine

N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 46398715) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID46398715
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC NameN-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESC=CCNc1nc2cnccc2s1
InChIInChI=1S/C9H9N3S/c1-2-4-11-9-12-7-6-10-5-3-8(7)13-9/h2-3,5-6H,1,4H2,(H,11,12)
InChIKeyOZGCIJOJWXGABE-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The IUPAC name of N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 46398715) is N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine is C=CCNc1nc2cnccc2s1.
What is the InChIKey of N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is OZGCIJOJWXGABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-2-4-11-9-12-7-6-10-5-3-8(7)13-9/h2-3,5-6H,1,4H2,(H,11,12).
What are the key properties of N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 46398715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).