N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine

C14H10N4S — CID 58362612

IUPACN-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine
SMILESCNc1ccc(C#Cc2nc3ncccc3s2)cn1
InChIInChI=1S/C14H10N4S/c1-15-12-6-4-10(9-17-12)5-7-13-18-14-11(19-13)3-2-8-16-14/h2-4,6,8-9H,1H3,(H,15,17)
InChIKeyFZIINQWNTVHJHM-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.53
Rot. Bonds1

About N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine

N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine (PubChem CID 58362612) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine
PubChem CID58362612
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC NameN-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine
SMILESCNc1ccc(C#Cc2nc3ncccc3s2)cn1
InChIInChI=1S/C14H10N4S/c1-15-12-6-4-10(9-17-12)5-7-13-18-14-11(19-13)3-2-8-16-14/h2-4,6,8-9H,1H3,(H,15,17)
InChIKeyFZIINQWNTVHJHM-UHFFFAOYSA-N
XLogP2.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine (CID 58362612) is N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine is CNc1ccc(C#Cc2nc3ncccc3s2)cn1.
What is the InChIKey of N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine?
The InChIKey is FZIINQWNTVHJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-15-12-6-4-10(9-17-12)5-7-13-18-14-11(19-13)3-2-8-16-14/h2-4,6,8-9H,1H3,(H,15,17).
What are the key properties of N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine?
N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine has a molecular weight of 266.33 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]pyridin-2-amine is sourced from PubChem (CID 58362612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).