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

C17H21N3O2S — CID 119813696

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C17H21N3O2S/c21-16(8-11-6-12-3-4-13(7-11)19-12)18-9-14-10-23-17(20-14)15-2-1-5-22-15/h1-2,5,10-13,19H,3-4,6-9H2,(H,18,21)
InChIKeyUIFVOOVWABNFLI-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.94
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 119813696) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID119813696
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C17H21N3O2S/c21-16(8-11-6-12-3-4-13(7-11)19-12)18-9-14-10-23-17(20-14)15-2-1-5-22-15/h1-2,5,10-13,19H,3-4,6-9H2,(H,18,21)
InChIKeyUIFVOOVWABNFLI-UHFFFAOYSA-N
XLogP2.94
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 119813695
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 119340800
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119813700
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119843774
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398881

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide (CID 119813696) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCc1csc(-c2ccco2)n1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is UIFVOOVWABNFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-16(8-11-6-12-3-4-13(7-11)19-12)18-9-14-10-23-17(20-14)15-2-1-5-22-15/h1-2,5,10-13,19H,3-4,6-9H2,(H,18,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 119813696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).