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

C14H19N3O2S — CID 79615397

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC(=O)c1csc(NC(=O)CC2CC3CCC(C2)N3)n1
InChIInChI=1S/C14H19N3O2S/c1-8(18)12-7-20-14(16-12)17-13(19)6-9-4-10-2-3-11(5-9)15-10/h7,9-11,15H,2-6H2,1H3,(H,16,17,19)
InChIKeyKEDVBIODULPQOA-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.20
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 79615397) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID79615397
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC(=O)c1csc(NC(=O)CC2CC3CCC(C2)N3)n1
InChIInChI=1S/C14H19N3O2S/c1-8(18)12-7-20-14(16-12)17-13(19)6-9-4-10-2-3-11(5-9)15-10/h7,9-11,15H,2-6H2,1H3,(H,16,17,19)
InChIKeyKEDVBIODULPQOA-UHFFFAOYSA-N
XLogP2.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)acetamide
CID 64612276
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119676911
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830478
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119677139
4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119702123
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830544
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
2-cyclopentyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]acetamide
CID 77047021
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 119684423
N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114429119

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 79615397) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide is CC(=O)c1csc(NC(=O)CC2CC3CCC(C2)N3)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is KEDVBIODULPQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8(18)12-7-20-14(16-12)17-13(19)6-9-4-10-2-3-11(5-9)15-10/h7,9-11,15H,2-6H2,1H3,(H,16,17,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 79615397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).