4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine

C13H15N5OS — CID 79815880

IUPAC4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCCOc1ccc2[nH]c(-c3c(C)nsc3NC)nc2n1
InChIInChI=1S/C13H15N5OS/c1-4-19-9-6-5-8-11(16-9)17-12(15-8)10-7(2)18-20-13(10)14-3/h5-6,14H,4H2,1-3H3,(H,15,16,17)
InChIKeyXKXWQXPUSKUWQC-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.83
Rot. Bonds4

About 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine

4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 79815880) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID79815880
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCCOc1ccc2[nH]c(-c3c(C)nsc3NC)nc2n1
InChIInChI=1S/C13H15N5OS/c1-4-19-9-6-5-8-11(16-9)17-12(15-8)10-7(2)18-20-13(10)14-3/h5-6,14H,4H2,1-3H3,(H,15,16,17)
InChIKeyXKXWQXPUSKUWQC-UHFFFAOYSA-N
XLogP2.83
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine (CID 79815880) is 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine is CCOc1ccc2[nH]c(-c3c(C)nsc3NC)nc2n1.
What is the InChIKey of 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is XKXWQXPUSKUWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-4-19-9-6-5-8-11(16-9)17-12(15-8)10-7(2)18-20-13(10)14-3/h5-6,14H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 289.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79815880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).