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

C17H29Cl2N3OS — CID 119892013

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
SMILESCCC(C)(NC(=O)CC1CC2CCC(C1)N2)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C17H27N3OS.2ClH/c1-4-17(3,16-18-11(2)10-22-16)20-15(21)9-12-7-13-5-6-14(8-12)19-13;;/h10,12-14,19H,4-9H2,1-3H3,(H,20,21);2*1H
InChIKeyBYSQCENNIXADIG-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.96
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride (PubChem CID 119892013) has the molecular formula C17H29Cl2N3OS and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
PubChem CID119892013
Molecular FormulaC17H29Cl2N3OS
Molecular Weight394.41 g/mol
Exact Mass393.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
SMILESCCC(C)(NC(=O)CC1CC2CCC(C1)N2)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C17H27N3OS.2ClH/c1-4-17(3,16-18-11(2)10-22-16)20-15(21)9-12-7-13-5-6-14(8-12)19-13;;/h10,12-14,19H,4-9H2,1-3H3,(H,20,21);2*1H
InChIKeyBYSQCENNIXADIG-UHFFFAOYSA-N
XLogP3.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892019
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 119892020
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 79614754
2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186173
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116588403
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119797595
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106176187
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 119734263
N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 122080565
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate
CID 119819819
N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119891994

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
The IUPAC name of 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) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride is CCC(C)(NC(=O)CC1CC2CCC(C1)N2)c1nc(C)cs1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
The InChIKey is BYSQCENNIXADIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS.2ClH/c1-4-17(3,16-18-11(2)10-22-16)20-15(21)9-12-7-13-5-6-14(8-12)19-13;;/h10,12-14,19H,4-9H2,1-3H3,(H,20,21);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride has a molecular weight of 394.41 g/mol, XLogP of 3.96, 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-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119892013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).