2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride

C15H25Cl2N3OS — CID 119898122

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCc1cnc(C(C)NC(=O)CC2CC3CCC(C2)N3)s1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-9-8-16-15(20-9)10(2)17-14(19)7-11-5-12-3-4-13(6-11)18-12;;/h8,10-13,18H,3-7H2,1-2H3,(H,17,19);2*1H
InChIKeyBTOIVCJWQUEXNV-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.39
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride (PubChem CID 119898122) has the molecular formula C15H25Cl2N3OS and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
PubChem CID119898122
Molecular FormulaC15H25Cl2N3OS
Molecular Weight366.36 g/mol
Exact Mass365.11
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCc1cnc(C(C)NC(=O)CC2CC3CCC(C2)N3)s1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-9-8-16-15(20-9)10(2)17-14(19)7-11-5-12-3-4-13(6-11)18-12;;/h8,10-13,18H,3-7H2,1-2H3,(H,17,19);2*1H
InChIKeyBTOIVCJWQUEXNV-UHFFFAOYSA-N
XLogP3.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.39
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-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898116
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-diphenylpropan-2-yl)acetamide;hydrochloride
CID 119716625
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylacetamide
CID 124576184
4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 82110975
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 79609850
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685958
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-[(2-methylpropan-2-yl)oxy]-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112629805

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride (CID 119898122) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride is Cc1cnc(C(C)NC(=O)CC2CC3CCC(C2)N3)s1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is BTOIVCJWQUEXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.2ClH/c1-9-8-16-15(20-9)10(2)17-14(19)7-11-5-12-3-4-13(6-11)18-12;;/h8,10-13,18H,3-7H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 366.36 g/mol, XLogP of 3.39, 4 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-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119898122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).