[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C20H17N3O3S — CID 8817382

IUPAC[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESC[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17N3O3S/c1-13(26-18(24)11-17-12-23-8-9-27-20(23)22-17)19(25)21-16-7-6-14-4-2-3-5-15(14)10-16/h2-10,12-13H,11H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeySITQFSNYQABIDF-ZDUSSCGKSA-N
MW379.44 g/mol
LogP3.66
Rot. Bonds5

About [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 8817382) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID8817382
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESC[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17N3O3S/c1-13(26-18(24)11-17-12-23-8-9-27-20(23)22-17)19(25)21-16-7-6-14-4-2-3-5-15(14)10-16/h2-10,12-13H,11H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeySITQFSNYQABIDF-ZDUSSCGKSA-N
XLogP3.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817220
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817022
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23853914
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817125
[2-(3-methoxyanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817579
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 41384630
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide
CID 166203175
[2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4243740
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821829
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3946811
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-oxochromen-6-yl)acetamide
CID 51091865

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 8817382) is [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is C[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is SITQFSNYQABIDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-13(26-18(24)11-17-12-23-8-9-27-20(23)22-17)19(25)21-16-7-6-14-4-2-3-5-15(14)10-16/h2-10,12-13H,11H2,1H3,(H,21,25)/t13-/m0/s1.
What are the key properties of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 379.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 8817382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).