[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C16H12N4O3S2 — CID 2998514

IUPAC[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H12N4O3S2/c21-13(19-15-18-11-3-1-2-4-12(11)25-15)9-23-14(22)7-10-8-20-5-6-24-16(20)17-10/h1-6,8H,7,9H2,(H,18,19,21)
InChIKeyWMAPLAQDQVQJKH-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.73
Rot. Bonds5

About [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 2998514) has the molecular formula C16H12N4O3S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID2998514
Molecular FormulaC16H12N4O3S2
Molecular Weight372.43 g/mol
Exact Mass372.04
IUPAC Name[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H12N4O3S2/c21-13(19-15-18-11-3-1-2-4-12(11)25-15)9-23-14(22)7-10-8-20-5-6-24-16(20)17-10/h1-6,8H,7,9H2,(H,18,19,21)
InChIKeyWMAPLAQDQVQJKH-UHFFFAOYSA-N
XLogP2.73
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate with MolForge

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Related Compounds

{2-[2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 653429
Imidazo[2,1-b]benzothiazole-2-acetic acid, ethyl ester
CID 12312084
2-((9-Ethyl-9H-carbazol-3-yl)amino)-2-oxoethyl 2-(imidazo[2,1-b]thiazol-6-yl)acetate
CID 2999806
2-(6-Imidazo[2,1-b]thiazolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester
CID 3000003
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4560658
N-(benzo[d]thiazol-2-yl)-3-(6-cyclopropylimidazo[2,1-b]thiazol-3-yl)propanamide
CID 52416633
[2-(2-Fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3293079
[2-(3-Fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816557
[2-[(2-Fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816773
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817064
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817304
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817321

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 2998514) is [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is O=C(COC(=O)Cc1cn2ccsc2n1)Nc1nc2ccccc2s1.
What is the InChIKey of [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is WMAPLAQDQVQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S2/c21-13(19-15-18-11-3-1-2-4-12(11)25-15)9-23-14(22)7-10-8-20-5-6-24-16(20)17-10/h1-6,8H,7,9H2,(H,18,19,21).
What are the key properties of [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 372.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 2998514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).