2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C18H15N3S — CID 11515031

IUPAC2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c(C)s1
InChIInChI=1S/C18H15N3S/c1-11-17(21-12(2)22-11)16-10-20-18-15(16)8-14(9-19-18)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)
InChIKeyMIRXZCOPQPWUSA-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.97
Rot. Bonds2

About 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 11515031) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID11515031
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c(C)s1
InChIInChI=1S/C18H15N3S/c1-11-17(21-12(2)22-11)16-10-20-18-15(16)8-14(9-19-18)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)
InChIKeyMIRXZCOPQPWUSA-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-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 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 11515031) is 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Cc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is MIRXZCOPQPWUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-11-17(21-12(2)22-11)16-10-20-18-15(16)8-14(9-19-18)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 305.41 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 11515031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).