2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

C18H23N3O2S — CID 120948693

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC3CNCC3O)cs2)cc1
InChIInChI=1S/C18H23N3O2S/c1-2-12-3-5-13(6-4-12)18-21-15(11-24-18)7-17(23)20-9-14-8-19-10-16(14)22/h3-6,11,14,16,19,22H,2,7-10H2,1H3,(H,20,23)
InChIKeyZUQKJLTZUVEKTQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.61
Rot. Bonds6

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (PubChem CID 120948693) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
PubChem CID120948693
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC3CNCC3O)cs2)cc1
InChIInChI=1S/C18H23N3O2S/c1-2-12-3-5-13(6-4-12)18-21-15(11-24-18)7-17(23)20-9-14-8-19-10-16(14)22/h3-6,11,14,16,19,22H,2,7-10H2,1H3,(H,20,23)
InChIKeyZUQKJLTZUVEKTQ-UHFFFAOYSA-N
XLogP1.61
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119459858
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
methyl 4-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 18192876
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120947898
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 120947563
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 112772130
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
methyl 5-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-2-methoxybenzoate
CID 60527853

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (CID 120948693) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is CCc1ccc(-c2nc(CC(=O)NCC3CNCC3O)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The InChIKey is ZUQKJLTZUVEKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-12-3-5-13(6-4-12)18-21-15(11-24-18)7-17(23)20-9-14-8-19-10-16(14)22/h3-6,11,14,16,19,22H,2,7-10H2,1H3,(H,20,23).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 120948693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).