3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

C13H18Cl2N4OS — CID 119882653

IUPAC3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H16N4OS.2ClH/c14-6-4-12(18)16-8-5-13-17-11(9-19-13)10-3-1-2-7-15-10;;/h1-3,7,9H,4-6,8,14H2,(H,16,18);2*1H
InChIKeyAZFJUKHQIQCSRV-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.06
Rot. Bonds6

About 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119882653) has the molecular formula C13H18Cl2N4OS and a molecular weight of 349.29 g/mol. Its IUPAC name is 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
PubChem CID119882653
Molecular FormulaC13H18Cl2N4OS
Molecular Weight349.29 g/mol
Exact Mass348.06
IUPAC Name3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H16N4OS.2ClH/c14-6-4-12(18)16-8-5-13-17-11(9-19-13)10-3-1-2-7-15-10;;/h1-3,7,9H,4-6,8,14H2,(H,16,18);2*1H
InChIKeyAZFJUKHQIQCSRV-UHFFFAOYSA-N
XLogP2.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride 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

2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120941520
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882605
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648739
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (CID 119882653) is 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)NCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is AZFJUKHQIQCSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS.2ClH/c14-6-4-12(18)16-8-5-13-17-11(9-19-13)10-3-1-2-7-15-10;;/h1-3,7,9H,4-6,8,14H2,(H,16,18);2*1H.
What are the key properties of 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 349.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119882653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).