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

C20H24Cl2N4OS — CID 119953650

IUPAC3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)NCCCc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C20H22N4OS.2ClH/c21-17(15-5-2-1-3-6-15)13-19(25)23-10-4-7-20-24-18(14-26-20)16-8-11-22-12-9-16;;/h1-3,5-6,8-9,11-12,14,17H,4,7,10,13,21H2,(H,23,25);2*1H
InChIKeySVGQFQJOSNUBGZ-UHFFFAOYSA-N
MW439.41 g/mol
LogP4.19
Rot. Bonds8

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

3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride (PubChem CID 119953650) has the molecular formula C20H24Cl2N4OS and a molecular weight of 439.41 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
PubChem CID119953650
Molecular FormulaC20H24Cl2N4OS
Molecular Weight439.41 g/mol
Exact Mass438.10
IUPAC Name3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)NCCCc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C20H22N4OS.2ClH/c21-17(15-5-2-1-3-6-15)13-19(25)23-10-4-7-20-24-18(14-26-20)16-8-11-22-12-9-16;;/h1-3,5-6,8-9,11-12,14,17H,4,7,10,13,21H2,(H,23,25);2*1H
InChIKeySVGQFQJOSNUBGZ-UHFFFAOYSA-N
XLogP4.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
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CID 120612941
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
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N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56520412
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
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CID 119874734
2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide
CID 56519526
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119875509
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride (CID 119953650) is 3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride is Cl.Cl.NC(CC(=O)NCCCc1nc(-c2ccncc2)cs1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The InChIKey is SVGQFQJOSNUBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS.2ClH/c21-17(15-5-2-1-3-6-15)13-19(25)23-10-4-7-20-24-18(14-26-20)16-8-11-22-12-9-16;;/h1-3,5-6,8-9,11-12,14,17H,4,7,10,13,21H2,(H,23,25);2*1H.
What are the key properties of 3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride has a molecular weight of 439.41 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 119953650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).