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

C17H27Cl2N3OS — CID 119894159

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
SMILESCc1csc(C(NC(=O)CC2CC3CCC(C2)N3)C2CC2)n1.Cl.Cl
InChIInChI=1S/C17H25N3OS.2ClH/c1-10-9-22-17(18-10)16(12-2-3-12)20-15(21)8-11-6-13-4-5-14(7-11)19-13;;/h9,11-14,16,19H,2-8H2,1H3,(H,20,21);2*1H
InChIKeyKNKLPUNBKIHCIV-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.78
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride (PubChem CID 119894159) has the molecular formula C17H27Cl2N3OS and a molecular weight of 392.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
PubChem CID119894159
Molecular FormulaC17H27Cl2N3OS
Molecular Weight392.40 g/mol
Exact Mass391.13
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
SMILESCc1csc(C(NC(=O)CC2CC3CCC(C2)N3)C2CC2)n1.Cl.Cl
InChIInChI=1S/C17H25N3OS.2ClH/c1-10-9-22-17(18-10)16(12-2-3-12)20-15(21)8-11-6-13-4-5-14(7-11)19-13;;/h9,11-14,16,19H,2-8H2,1H3,(H,20,21);2*1H
InChIKeyKNKLPUNBKIHCIV-UHFFFAOYSA-N
XLogP3.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 79614754
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 91643966
(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 120637532
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119898122
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892013
N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 167956670
3-(2-aminophenyl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
CID 120613359
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116588403
(1R,2R,4S)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98351658
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
1-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111507979

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride (CID 119894159) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride is Cc1csc(C(NC(=O)CC2CC3CCC(C2)N3)C2CC2)n1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride?
The InChIKey is KNKLPUNBKIHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS.2ClH/c1-10-9-22-17(18-10)16(12-2-3-12)20-15(21)8-11-6-13-4-5-14(7-11)19-13;;/h9,11-14,16,19H,2-8H2,1H3,(H,20,21);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride has a molecular weight of 392.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119894159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).