2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide

C19H21N3O3S — CID 119684423

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C19H21N3O3S/c23-18(7-11-5-13-2-3-14(6-11)20-13)22-19-21-15(9-26-19)12-1-4-16-17(8-12)25-10-24-16/h1,4,8-9,11,13-14,20H,2-3,5-7,10H2,(H,21,22,23)
InChIKeyPCMRCSMMZBXAIH-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.40
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 119684423) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID119684423
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C19H21N3O3S/c23-18(7-11-5-13-2-3-14(6-11)20-13)22-19-21-15(9-26-19)12-1-4-16-17(8-12)25-10-24-16/h1,4,8-9,11,13-14,20H,2-3,5-7,10H2,(H,21,22,23)
InChIKeyPCMRCSMMZBXAIH-UHFFFAOYSA-N
XLogP3.40
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119677139
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119676911
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
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 18198225
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119668960
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259
4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119268544
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 71827024
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 39072128
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 51189301
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 30726086
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254792

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 119684423) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1nc(-c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PCMRCSMMZBXAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-18(7-11-5-13-2-3-14(6-11)20-13)22-19-21-15(9-26-19)12-1-4-16-17(8-12)25-10-24-16/h1,4,8-9,11,13-14,20H,2-3,5-7,10H2,(H,21,22,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 119684423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).