2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride

C20H28Cl2N4OS — CID 119875509

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C20H26N4OS.2ClH/c25-19(12-14-10-16-3-4-17(11-14)23-16)22-7-1-2-20-24-18(13-26-20)15-5-8-21-9-6-15;;/h5-6,8-9,13-14,16-17,23H,1-4,7,10-12H2,(H,22,25);2*1H
InChIKeyVAOJGGXHZALBBJ-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.02
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride (PubChem CID 119875509) has the molecular formula C20H28Cl2N4OS and a molecular weight of 443.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
PubChem CID119875509
Molecular FormulaC20H28Cl2N4OS
Molecular Weight443.44 g/mol
Exact Mass442.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C20H26N4OS.2ClH/c25-19(12-14-10-16-3-4-17(11-14)23-16)22-7-1-2-20-24-18(13-26-20)15-5-8-21-9-6-15;;/h5-6,8-9,13-14,16-17,23H,1-4,7,10-12H2,(H,22,25);2*1H
InChIKeyVAOJGGXHZALBBJ-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.02
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

2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
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
CID 119875480
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
CID 119875478
3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119953650
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119676911
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 166187850
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110317818
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56520412
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride?
The IUPAC name of 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) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride is Cl.Cl.O=C(CC1CC2CCC(C1)N2)NCCCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride?
The InChIKey is VAOJGGXHZALBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS.2ClH/c25-19(12-14-10-16-3-4-17(11-14)23-16)22-7-1-2-20-24-18(13-26-20)15-5-8-21-9-6-15;;/h5-6,8-9,13-14,16-17,23H,1-4,7,10-12H2,(H,22,25);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride has a molecular weight of 443.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride is sourced from PubChem (CID 119875509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).