4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole

C10H6Cl2N4S — CID 113360922

IUPAC4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cs1
InChIInChI=1S/C10H6Cl2N4S/c1-4-13-7(3-17-4)10-14-6-2-5(11)8(12)15-9(6)16-10/h2-3H,1H3,(H,14,15,16)
InChIKeyJVLQXCIPSUACKB-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.70
Rot. Bonds1

About 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole

4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole (PubChem CID 113360922) has the molecular formula C10H6Cl2N4S and a molecular weight of 285.16 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole
PubChem CID113360922
Molecular FormulaC10H6Cl2N4S
Molecular Weight285.16 g/mol
Exact Mass283.97
IUPAC Name4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cs1
InChIInChI=1S/C10H6Cl2N4S/c1-4-13-7(3-17-4)10-14-6-2-5(11)8(12)15-9(6)16-10/h2-3H,1H3,(H,14,15,16)
InChIKeyJVLQXCIPSUACKB-UHFFFAOYSA-N
XLogP3.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole (CID 113360922) is 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cs1.
What is the InChIKey of 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole?
The InChIKey is JVLQXCIPSUACKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4S/c1-4-13-7(3-17-4)10-14-6-2-5(11)8(12)15-9(6)16-10/h2-3H,1H3,(H,14,15,16).
What are the key properties of 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole?
4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole has a molecular weight of 285.16 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 113360922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).