N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine

C16H20N4S — CID 66412791

IUPACN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2cnc(C)s2)c2ncccc12
InChIInChI=1S/C16H20N4S/c1-3-6-17-8-13-10-20(11-14-9-19-12(2)21-14)16-15(13)5-4-7-18-16/h4-5,7,9-10,17H,3,6,8,11H2,1-2H3
InChIKeyHCGNFSGSXCUAOA-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.35
Rot. Bonds6

About N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine

N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine (PubChem CID 66412791) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
PubChem CID66412791
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2cnc(C)s2)c2ncccc12
InChIInChI=1S/C16H20N4S/c1-3-6-17-8-13-10-20(11-14-9-19-12(2)21-14)16-15(13)5-4-7-18-16/h4-5,7,9-10,17H,3,6,8,11H2,1-2H3
InChIKeyHCGNFSGSXCUAOA-UHFFFAOYSA-N
XLogP3.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine 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

N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411229
N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412006
N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411029
N-[[1-(2-ethylsulfonylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411620
2,2-dimethyl-3-[3-(propylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
CID 79619622
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 116617067
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413176
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66412784
N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413174
N-[(1-octylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66411018
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413414

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine (CID 66412791) is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2cnc(C)s2)c2ncccc12.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
The InChIKey is HCGNFSGSXCUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-3-6-17-8-13-10-20(11-14-9-19-12(2)21-14)16-15(13)5-4-7-18-16/h4-5,7,9-10,17H,3,6,8,11H2,1-2H3.
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine has a molecular weight of 300.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66412791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).