2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide

C18H21FN2O2S — CID 94639876

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCCc1nc(CC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cs1
InChIInChI=1S/C18H21FN2O2S/c1-2-17-20-14(11-24-17)10-16(22)21-18(15-4-3-9-23-15)12-5-7-13(19)8-6-12/h5-8,11,15,18H,2-4,9-10H2,1H3,(H,21,22)/t15-,18+/m1/s1
InChIKeyGOVUDWONJFWRLY-QAPCUYQASA-N
MW348.44 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 94639876) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID94639876
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCCc1nc(CC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cs1
InChIInChI=1S/C18H21FN2O2S/c1-2-17-20-14(11-24-17)10-16(22)21-18(15-4-3-9-23-15)12-5-7-13(19)8-6-12/h5-8,11,15,18H,2-4,9-10H2,1H3,(H,21,22)/t15-,18+/m1/s1
InChIKeyGOVUDWONJFWRLY-QAPCUYQASA-N
XLogP3.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 94633542
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide
CID 136876879
N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95616855
2-(3,5-dimethylpyrazol-1-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94633627
2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide
CID 86832332
1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94666979
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
CID 94633577
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60547964
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 60547934
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide (CID 94639876) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide is CCc1nc(CC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GOVUDWONJFWRLY-QAPCUYQASA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-2-17-20-14(11-24-17)10-16(22)21-18(15-4-3-9-23-15)12-5-7-13(19)8-6-12/h5-8,11,15,18H,2-4,9-10H2,1H3,(H,21,22)/t15-,18+/m1/s1.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 348.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 94639876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).