(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C14H16N4O3S — CID 95726109

IUPAC(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@]2(CCN(C(=O)Cc3cn4ccsc4n3)C2)OC1=O
InChIInChI=1S/C14H16N4O3S/c1-16-8-14(21-13(16)20)2-3-18(9-14)11(19)6-10-7-17-4-5-22-12(17)15-10/h4-5,7H,2-3,6,8-9H2,1H3/t14-/m0/s1
InChIKeyXVVMBUFSCXLITN-AWEZNQCLSA-N
MW320.37 g/mol
LogP0.99
Rot. Bonds2

About (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 95726109) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID95726109
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@]2(CCN(C(=O)Cc3cn4ccsc4n3)C2)OC1=O
InChIInChI=1S/C14H16N4O3S/c1-16-8-14(21-13(16)20)2-3-18(9-14)11(19)6-10-7-17-4-5-22-12(17)15-10/h4-5,7H,2-3,6,8-9H2,1H3/t14-/m0/s1
InChIKeyXVVMBUFSCXLITN-AWEZNQCLSA-N
XLogP0.99
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911026
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146621
3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56718537
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95591217
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95750560
2-ethyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 83059950
(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95714736
(5S)-3-methyl-7-[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95723669
(3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one
CID 95210948
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 38910901
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylcyclohexyl)ethanone
CID 106829683
(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 95726109) is (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1C[C@]2(CCN(C(=O)Cc3cn4ccsc4n3)C2)OC1=O.
What is the InChIKey of (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is XVVMBUFSCXLITN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-16-8-14(21-13(16)20)2-3-18(9-14)11(19)6-10-7-17-4-5-22-12(17)15-10/h4-5,7H,2-3,6,8-9H2,1H3/t14-/m0/s1.
What are the key properties of (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 320.37 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 95726109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).