N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine

C20H21N3S — CID 166275175

IUPACN-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
SMILESCc1sc(CCNC2CCc3ncccc32)nc1-c1ccccc1
InChIInChI=1S/C20H21N3S/c1-14-20(15-6-3-2-4-7-15)23-19(24-14)11-13-22-18-10-9-17-16(18)8-5-12-21-17/h2-8,12,18,22H,9-11,13H2,1H3
InChIKeyDTVFGHQOLJGPNT-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.33
Rot. Bonds5

About N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine

N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (PubChem CID 166275175) has the molecular formula C20H21N3S and a molecular weight of 335.48 g/mol. Its IUPAC name is N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
PubChem CID166275175
Molecular FormulaC20H21N3S
Molecular Weight335.48 g/mol
Exact Mass335.15
IUPAC NameN-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
SMILESCc1sc(CCNC2CCc3ncccc32)nc1-c1ccccc1
InChIInChI=1S/C20H21N3S/c1-14-20(15-6-3-2-4-7-15)23-19(24-14)11-13-22-18-10-9-17-16(18)8-5-12-21-17/h2-8,12,18,22H,9-11,13H2,1H3
InChIKeyDTVFGHQOLJGPNT-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine 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 N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
The IUPAC name of N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (CID 166275175) is N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.
What is the SMILES notation for N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
The canonical SMILES for N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is Cc1sc(CCNC2CCc3ncccc32)nc1-c1ccccc1.
What is the InChIKey of N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
The InChIKey is DTVFGHQOLJGPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S/c1-14-20(15-6-3-2-4-7-15)23-19(24-14)11-13-22-18-10-9-17-16(18)8-5-12-21-17/h2-8,12,18,22H,9-11,13H2,1H3.
What are the key properties of N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine has a molecular weight of 335.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is sourced from PubChem (CID 166275175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).