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

C14H14N4S2 — CID 63598448

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1csc(-c2ccccn2)n1)c1nccs1
InChIInChI=1S/C14H14N4S2/c1-10(13-16-6-7-19-13)17-8-11-9-20-14(18-11)12-4-2-3-5-15-12/h2-7,9-10,17H,8H2,1H3
InChIKeyPHJYBPQTNFVYLO-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.51
Rot. Bonds5

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

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 63598448) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID63598448
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1csc(-c2ccccn2)n1)c1nccs1
InChIInChI=1S/C14H14N4S2/c1-10(13-16-6-7-19-13)17-8-11-9-20-14(18-11)12-4-2-3-5-15-12/h2-7,9-10,17H,8H2,1H3
InChIKeyPHJYBPQTNFVYLO-UHFFFAOYSA-N
XLogP3.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
1-(furan-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234418
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
(1S)-1-(2-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51929924
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
CID 115633197
6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine
CID 43234312
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 115749394
1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66385278
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine
CID 115654801
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
CID 78921085
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 63598448) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is CC(NCc1csc(-c2ccccn2)n1)c1nccs1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is PHJYBPQTNFVYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-10(13-16-6-7-19-13)17-8-11-9-20-14(18-11)12-4-2-3-5-15-12/h2-7,9-10,17H,8H2,1H3.
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 302.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63598448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).