2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C24H23N3O2S — CID 95090556

IUPAC2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(-c2cn3c(CC(=O)N[C@H]4CCCc5ccccc54)csc3n2)cc1
InChIInChI=1S/C24H23N3O2S/c1-29-19-11-9-17(10-12-19)22-14-27-18(15-30-24(27)26-22)13-23(28)25-21-8-4-6-16-5-2-3-7-20(16)21/h2-3,5,7,9-12,14-15,21H,4,6,8,13H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyORUOATPTKQKZGT-NRFANRHFSA-N
MW417.53 g/mol
LogP4.81
Rot. Bonds5

About 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 95090556) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID95090556
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(-c2cn3c(CC(=O)N[C@H]4CCCc5ccccc54)csc3n2)cc1
InChIInChI=1S/C24H23N3O2S/c1-29-19-11-9-17(10-12-19)22-14-27-18(15-30-24(27)26-22)13-23(28)25-21-8-4-6-16-5-2-3-7-20(16)21/h2-3,5,7,9-12,14-15,21H,4,6,8,13H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyORUOATPTKQKZGT-NRFANRHFSA-N
XLogP4.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-methoxybenzoate
CID 2510220
4-[[2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 40509193
N-[2-(4-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509404
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92683840
methyl 4-methoxy-2-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzoate
CID 7705059
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
N-(6-chloro-3-pyridinyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 141329544
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22575952
4-methoxy-N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 71768306
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7522234
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 4877490
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2509458

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 95090556) is 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1ccc(-c2cn3c(CC(=O)N[C@H]4CCCc5ccccc54)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is ORUOATPTKQKZGT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-29-19-11-9-17(10-12-19)22-14-27-18(15-30-24(27)26-22)13-23(28)25-21-8-4-6-16-5-2-3-7-20(16)21/h2-3,5,7,9-12,14-15,21H,4,6,8,13H2,1H3,(H,25,28)/t21-/m0/s1.
What are the key properties of 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 95090556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).