N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

C15H18N4S — CID 66413176

IUPACN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2csc(C)n2)c2ncccc12
InChIInChI=1S/C15H18N4S/c1-3-16-7-12-8-19(9-13-10-20-11(2)18-13)15-14(12)5-4-6-17-15/h4-6,8,10,16H,3,7,9H2,1-2H3
InChIKeyYGIKJCRHYDHLHP-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.96
Rot. Bonds5

About N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (PubChem CID 66413176) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
PubChem CID66413176
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2csc(C)n2)c2ncccc12
InChIInChI=1S/C15H18N4S/c1-3-16-7-12-8-19(9-13-10-20-11(2)18-13)15-14(12)5-4-6-17-15/h4-6,8,10,16H,3,7,9H2,1-2H3
InChIKeyYGIKJCRHYDHLHP-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine 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-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413572
N-[[1-(2-pyrazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66412190
N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411997
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413414
N-[[1-(oxan-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411417
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718
N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411229
2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410865
N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
CID 63850720
N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412006

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (CID 66413176) is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is CCNCc1cn(Cc2csc(C)n2)c2ncccc12.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The InChIKey is YGIKJCRHYDHLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-16-7-12-8-19(9-13-10-20-11(2)18-13)15-14(12)5-4-6-17-15/h4-6,8,10,16H,3,7,9H2,1-2H3.
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 2.96, 5 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-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66413176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).