2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone

C14H16N8O2S — CID 78905037

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C14H16N8O2S/c23-12(7-11-8-21-5-6-25-14(21)16-11)19-1-3-20(4-2-19)13(24)9-22-10-15-17-18-22/h5-6,8,10H,1-4,7,9H2
InChIKeyHXUWNSHYTQICCY-UHFFFAOYSA-N
MW360.40 g/mol
LogP-0.70
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone (PubChem CID 78905037) has the molecular formula C14H16N8O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone
PubChem CID78905037
Molecular FormulaC14H16N8O2S
Molecular Weight360.40 g/mol
Exact Mass360.11
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C14H16N8O2S/c23-12(7-11-8-21-5-6-25-14(21)16-11)19-1-3-20(4-2-19)13(24)9-22-10-15-17-18-22/h5-6,8,10H,1-4,7,9H2
InChIKeyHXUWNSHYTQICCY-UHFFFAOYSA-N
XLogP-0.70
TPSA101.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95750560
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95591217
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 38910901
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146621
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 56780016
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 74238119
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 78851287
(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56914148
3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56718537
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 27514609
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95311567

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone (CID 78905037) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone is O=C(Cc1cn2ccsc2n1)N1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone?
The InChIKey is HXUWNSHYTQICCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O2S/c23-12(7-11-8-21-5-6-25-14(21)16-11)19-1-3-20(4-2-19)13(24)9-22-10-15-17-18-22/h5-6,8,10H,1-4,7,9H2.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone has a molecular weight of 360.40 g/mol, XLogP of -0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78905037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).