3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C12H13N5O2S — CID 115334218

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCNC2)C(=O)N1Cc1cn2ccsc2n1
InChIInChI=1S/C12H13N5O2S/c18-9-12(1-2-13-7-12)15-10(19)17(9)6-8-5-16-3-4-20-11(16)14-8/h3-5,13H,1-2,6-7H2,(H,15,19)
InChIKeyXOAZROOXBOYEQX-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.18
Rot. Bonds2

About 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 115334218) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID115334218
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCNC2)C(=O)N1Cc1cn2ccsc2n1
InChIInChI=1S/C12H13N5O2S/c18-9-12(1-2-13-7-12)15-10(19)17(9)6-8-5-16-3-4-20-11(16)14-8/h3-5,13H,1-2,6-7H2,(H,15,19)
InChIKeyXOAZROOXBOYEQX-UHFFFAOYSA-N
XLogP0.18
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

6-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 102850313
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570728
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-ol
CID 115332763
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 55585898
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727726
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 115334204
3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 75356044
2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide
CID 78989549
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylcyclohexyl)ethanone
CID 106829683
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 115334218) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCNC2)C(=O)N1Cc1cn2ccsc2n1.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is XOAZROOXBOYEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c18-9-12(1-2-13-7-12)15-10(19)17(9)6-8-5-16-3-4-20-11(16)14-8/h3-5,13H,1-2,6-7H2,(H,15,19).
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 291.34 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 115334218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).