N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride

C21H23Cl2N3O2S — CID 119455202

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C21H21N3O2S.2ClH/c25-20(23-16-11-14-8-9-15(12-16)22-14)19-18(13-5-2-1-3-6-13)24-21(27-19)17-7-4-10-26-17;;/h1-7,10,14-16,22H,8-9,11-12H2,(H,23,25);2*1H
InChIKeyAWARSRVNTRUDIJ-UHFFFAOYSA-N
MW452.41 g/mol
LogP4.93
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119455202) has the molecular formula C21H23Cl2N3O2S and a molecular weight of 452.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119455202
Molecular FormulaC21H23Cl2N3O2S
Molecular Weight452.41 g/mol
Exact Mass451.09
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C21H21N3O2S.2ClH/c25-20(23-16-11-14-8-9-15(12-16)22-14)19-18(13-5-2-1-3-6-13)24-21(27-19)17-7-4-10-26-17;;/h1-7,10,14-16,22H,8-9,11-12H2,(H,23,25);2*1H
InChIKeyAWARSRVNTRUDIJ-UHFFFAOYSA-N
XLogP4.93
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119385843
N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 46551376
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119459139
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36766447
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119459274
2-(furan-2-yl)-N-(1-methylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 32608675
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 119455183
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56544374
N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 36757551
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 119457762

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119455202) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CC2CCC(C1)N2)c1sc(-c2ccco2)nc1-c1ccccc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is AWARSRVNTRUDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S.2ClH/c25-20(23-16-11-14-8-9-15(12-16)22-14)19-18(13-5-2-1-3-6-13)24-21(27-19)17-7-4-10-26-17;;/h1-7,10,14-16,22H,8-9,11-12H2,(H,23,25);2*1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 452.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119455202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).