2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole

C10H7N3S — CID 166273321

IUPAC2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole
SMILESc1cc2[nH]cc(-c3nccs3)c2cn1
InChIInChI=1S/C10H7N3S/c1-2-11-5-7-8(6-13-9(1)7)10-12-3-4-14-10/h1-6,13H
InChIKeyVMRZAPVXALBRNY-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.69
Rot. Bonds1

About 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole

2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole (PubChem CID 166273321) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole
PubChem CID166273321
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole
SMILESc1cc2[nH]cc(-c3nccs3)c2cn1
InChIInChI=1S/C10H7N3S/c1-2-11-5-7-8(6-13-9(1)7)10-12-3-4-14-10/h1-6,13H
InChIKeyVMRZAPVXALBRNY-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole (CID 166273321) is 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole is c1cc2[nH]cc(-c3nccs3)c2cn1.
What is the InChIKey of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole?
The InChIKey is VMRZAPVXALBRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-2-11-5-7-8(6-13-9(1)7)10-12-3-4-14-10/h1-6,13H.
What are the key properties of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole?
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole has a molecular weight of 201.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 166273321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).