2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole

C15H11N5S — CID 58230460

IUPAC2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole
SMILESc1cc2[nH]cc(-c3ccnc(Cc4nccs4)n3)c2cn1
InChIInChI=1S/C15H11N5S/c1-3-16-8-10-11(9-19-12(1)10)13-2-4-17-14(20-13)7-15-18-5-6-21-15/h1-6,8-9,19H,7H2
InChIKeyXGKXQQYBQXXPND-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.07
Rot. Bonds3

About 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole

2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole (PubChem CID 58230460) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole
PubChem CID58230460
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole
SMILESc1cc2[nH]cc(-c3ccnc(Cc4nccs4)n3)c2cn1
InChIInChI=1S/C15H11N5S/c1-3-16-8-10-11(9-19-12(1)10)13-2-4-17-14(20-13)7-15-18-5-6-21-15/h1-6,8-9,19H,7H2
InChIKeyXGKXQQYBQXXPND-UHFFFAOYSA-N
XLogP3.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole 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 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole (CID 58230460) is 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole is c1cc2[nH]cc(-c3ccnc(Cc4nccs4)n3)c2cn1.
What is the InChIKey of 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole?
The InChIKey is XGKXQQYBQXXPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c1-3-16-8-10-11(9-19-12(1)10)13-2-4-17-14(20-13)7-15-18-5-6-21-15/h1-6,8-9,19H,7H2.
What are the key properties of 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole?
2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole has a molecular weight of 293.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 58230460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).