2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

C25H29N3OS — CID 112809788

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(c3ccccc3)N3CCCC3)cs2)cc1
InChIInChI=1S/C25H29N3OS/c1-2-19-10-12-21(13-11-19)25-27-22(18-30-25)16-24(29)26-17-23(28-14-6-7-15-28)20-8-4-3-5-9-20/h3-5,8-13,18,23H,2,6-7,14-17H2,1H3,(H,26,29)
InChIKeyVHBNTHWLXANNLO-UHFFFAOYSA-N
MW419.59 g/mol
LogP4.87
Rot. Bonds8

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 112809788) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID112809788
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(c3ccccc3)N3CCCC3)cs2)cc1
InChIInChI=1S/C25H29N3OS/c1-2-19-10-12-21(13-11-19)25-27-22(18-30-25)16-24(29)26-17-23(28-14-6-7-15-28)20-8-4-3-5-9-20/h3-5,8-13,18,23H,2,6-7,14-17H2,1H3,(H,26,29)
InChIKeyVHBNTHWLXANNLO-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112809737
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112809765
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46514403
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40798872
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 43006465
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 42936730
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55435927
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46446899
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium
CID 2425714
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (CID 112809788) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide is CCc1ccc(-c2nc(CC(=O)NCC(c3ccccc3)N3CCCC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is VHBNTHWLXANNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-2-19-10-12-21(13-11-19)25-27-22(18-30-25)16-24(29)26-17-23(28-14-6-7-15-28)20-8-4-3-5-9-20/h3-5,8-13,18,23H,2,6-7,14-17H2,1H3,(H,26,29).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 419.59 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 112809788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).