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

C13H15N3S — CID 77108427

IUPAC4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CSC(c2cc3ncccc3[nH]2)=N1
InChIInChI=1S/C13H15N3S/c1-8(2)12-7-17-13(16-12)11-6-10-9(15-11)4-3-5-14-10/h3-6,8,12,15H,7H2,1-2H3
InChIKeyZTFWGTVVDZGEEB-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.08
Rot. Bonds2

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

4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 77108427) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole
PubChem CID77108427
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CSC(c2cc3ncccc3[nH]2)=N1
InChIInChI=1S/C13H15N3S/c1-8(2)12-7-17-13(16-12)11-6-10-9(15-11)4-3-5-14-10/h3-6,8,12,15H,7H2,1-2H3
InChIKeyZTFWGTVVDZGEEB-UHFFFAOYSA-N
XLogP3.08
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-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

Related Compounds

2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 84676205
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
4-propan-2-yl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)-4,5-dihydro-1,3-thiazole
CID 174716150
4-(2-methylpropyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)-4,5-dihydro-1,3-thiazole
CID 174716175
2-(1,5-dimethylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine
CID 153303828
2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772
2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 141361591
2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine
CID 118825995
3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176580356
2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine
CID 134350502
2-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine
CID 24759625
4-(1H-pyrrolo[3,2-b]pyridin-2-yl)butanenitrile
CID 16757321

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole (CID 77108427) is 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole is CC(C)C1CSC(c2cc3ncccc3[nH]2)=N1.
What is the InChIKey of 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is ZTFWGTVVDZGEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-8(2)12-7-17-13(16-12)11-6-10-9(15-11)4-3-5-14-10/h3-6,8,12,15H,7H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole?
4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 245.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 77108427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).