N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine

C15H21N3S — CID 82102804

IUPACN-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H21N3S/c1-2-3-5-9-16-11-8-15-18-14(12-19-15)13-7-4-6-10-17-13/h4,6-7,10,12,16H,2-3,5,8-9,11H2,1H3
InChIKeyIOKIXZMRVRFQTD-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.53
Rot. Bonds8

About N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine (PubChem CID 82102804) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
PubChem CID82102804
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H21N3S/c1-2-3-5-9-16-11-8-15-18-14(12-19-15)13-7-4-6-10-17-13/h4,6-7,10,12,16H,2-3,5,8-9,11H2,1H3
InChIKeyIOKIXZMRVRFQTD-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-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

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
4-(Pyridin-2-yl)-1,3-thiazol-2-amine
CID 1092459
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
Thiourea, N-(2-(2-pyridinyl)ethyl)-N'-2-thiazolyl-
CID 3001095
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448
3-[(2,5-Dimethyl-4-thiazolyl)ethynyl]pyridine
CID 11615445
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]pyridine
CID 57384102
2,4-Di(pyridin-3-yl)thiazole
CID 2725997

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine (CID 82102804) is N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine is CCCCCNCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine?
The InChIKey is IOKIXZMRVRFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-3-5-9-16-11-8-15-18-14(12-19-15)13-7-4-6-10-17-13/h4,6-7,10,12,16H,2-3,5,8-9,11H2,1H3.
What are the key properties of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine?
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 82102804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).