N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C15H24N4OS — CID 61231729

IUPACN-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(Cc1csc(NC(C)=O)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H24N4OS/c1-3-19(14-6-11-4-5-12(7-14)17-11)8-13-9-21-15(18-13)16-10(2)20/h9,11-12,14,17H,3-8H2,1-2H3,(H,16,18,20)
InChIKeyOTVAIJYRROHQFS-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.21
Rot. Bonds5

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

N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 61231729) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID61231729
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(Cc1csc(NC(C)=O)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H24N4OS/c1-3-19(14-6-11-4-5-12(7-14)17-11)8-13-9-21-15(18-13)16-10(2)20/h9,11-12,14,17H,3-8H2,1-2H3,(H,16,18,20)
InChIKeyOTVAIJYRROHQFS-UHFFFAOYSA-N
XLogP2.21
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[4-[[ethyl(piperidin-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 54923162
N-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 60694759
N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 104979408
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 61233173
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
3-[(2-acetamido-1,3-thiazol-4-yl)methyl-ethylamino]butanoic acid
CID 62826038
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656504
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79615397
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573484
4-[[cyclohexyl(ethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664567
4-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236613
N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 63299224

Frequently Asked Questions

What is the IUPAC name of N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 61231729) is N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(Cc1csc(NC(C)=O)n1)C1CC2CCC(C1)N2.
What is the InChIKey of N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OTVAIJYRROHQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-19(14-6-11-4-5-12(7-14)17-11)8-13-9-21-15(18-13)16-10(2)20/h9,11-12,14,17H,3-8H2,1-2H3,(H,16,18,20).
What are the key properties of N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 61231729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).