N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C10H13N3S — CID 2747541

IUPACN-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCCCNc1nc2cccnc2s1
InChIInChI=1S/C10H13N3S/c1-2-3-6-12-10-13-8-5-4-7-11-9(8)14-10/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyCAISUURRTUXNQZ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.90
Rot. Bonds4

About N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 2747541) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID2747541
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCCCNc1nc2cccnc2s1
InChIInChI=1S/C10H13N3S/c1-2-3-6-12-10-13-8-5-4-7-11-9(8)14-10/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyCAISUURRTUXNQZ-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-[1,3]thiazolo[5,4-b]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-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 2747541) is N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CCCCNc1nc2cccnc2s1.
What is the InChIKey of N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is CAISUURRTUXNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-3-6-12-10-13-8-5-4-7-11-9(8)14-10/h4-5,7H,2-3,6H2,1H3,(H,12,13).
What are the key properties of N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 207.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 2747541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).