N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C30H29N3O2S — CID 29044406

IUPACN-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCC(c4ccccc4)c4ccccc4)csc3n2)cc1
InChIInChI=1S/C30H29N3O2S/c1-2-35-26-15-13-24(14-16-26)28-20-33-25(21-36-30(33)32-28)19-29(34)31-18-17-27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,20-21,27H,2,17-19H2,1H3,(H,31,34)
InChIKeyMFHKHMQXBDLVSR-UHFFFAOYSA-N
MW495.65 g/mol
LogP6.34
Rot. Bonds10

About N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 29044406) has the molecular formula C30H29N3O2S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID29044406
Molecular FormulaC30H29N3O2S
Molecular Weight495.65 g/mol
Exact Mass495.20
IUPAC NameN-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCC(c4ccccc4)c4ccccc4)csc3n2)cc1
InChIInChI=1S/C30H29N3O2S/c1-2-35-26-15-13-24(14-16-26)28-20-33-25(21-36-30(33)32-28)19-29(34)31-18-17-27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,20-21,27H,2,17-19H2,1H3,(H,31,34)
InChIKeyMFHKHMQXBDLVSR-UHFFFAOYSA-N
XLogP6.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
CID 121038383
N-[1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 42928562
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25389385
N-[3-(diethylamino)propyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509217
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121038447
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121038438
N-[(2-chlorophenyl)methyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044370
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 29044246
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide
CID 121038352
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 121038440

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 29044406) is N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NCCC(c4ccccc4)c4ccccc4)csc3n2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is MFHKHMQXBDLVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2S/c1-2-35-26-15-13-24(14-16-26)28-20-33-25(21-36-30(33)32-28)19-29(34)31-18-17-27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,20-21,27H,2,17-19H2,1H3,(H,31,34).
What are the key properties of N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 495.65 g/mol, XLogP of 6.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 29044406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).