2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide

C16H23N3O3S — CID 70735788

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide
SMILESO=C(CC1=CSC2=NCCN12)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H23N3O3S/c20-14(9-13-11-23-15-17-4-5-19(13)15)18-12-1-6-22-16(10-12)2-7-21-8-3-16/h11-12H,1-10H2,(H,18,20)
InChIKeyUROWBKPVCNRXLD-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.48
Rot. Bonds3

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide (PubChem CID 70735788) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide
PubChem CID70735788
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide
SMILESO=C(CC1=CSC2=NCCN12)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H23N3O3S/c20-14(9-13-11-23-15-17-4-5-19(13)15)18-12-1-6-22-16(10-12)2-7-21-8-3-16/h11-12H,1-10H2,(H,18,20)
InChIKeyUROWBKPVCNRXLD-UHFFFAOYSA-N
XLogP1.48
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
CID 77087174
N-(3,4-dihydro-2H-chromen-4-yl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108810091
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 99956818
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 155950161
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787682
N-[(4,5-dimethylthiophen-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903616
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1-phenylethyl)acetamide
CID 108787519
N-(1-oxaspiro[5.5]undecan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71968225
N-(4-cyanophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787570
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 70714137

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide (CID 70735788) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide is O=C(CC1=CSC2=NCCN12)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide?
The InChIKey is UROWBKPVCNRXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-14(9-13-11-23-15-17-4-5-19(13)15)18-12-1-6-22-16(10-12)2-7-21-8-3-16/h11-12H,1-10H2,(H,18,20).
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide has a molecular weight of 337.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide is sourced from PubChem (CID 70735788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).