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

C18H22N2O2S — CID 94026439

IUPACN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCc1nc(-c2ccc(CCNC(=O)C[C@@H]3CCCO3)cc2)cs1
InChIInChI=1S/C18H22N2O2S/c1-13-20-17(12-23-13)15-6-4-14(5-7-15)8-9-19-18(21)11-16-3-2-10-22-16/h4-7,12,16H,2-3,8-11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyLLXSNWLFZXVPIM-INIZCTEOSA-N
MW330.45 g/mol
LogP3.35
Rot. Bonds6

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

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 94026439) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID94026439
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCc1nc(-c2ccc(CCNC(=O)C[C@@H]3CCCO3)cc2)cs1
InChIInChI=1S/C18H22N2O2S/c1-13-20-17(12-23-13)15-6-4-14(5-7-15)8-9-19-18(21)11-16-3-2-10-22-16/h4-7,12,16H,2-3,8-11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyLLXSNWLFZXVPIM-INIZCTEOSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 16568181
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24643731
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672380
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
3-chloro-2,2-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108749621
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119837229
4-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837231
2,2-dimethyl-N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-4-oxobutyl]propanamide
CID 51338645

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 94026439) is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide is Cc1nc(-c2ccc(CCNC(=O)C[C@@H]3CCCO3)cc2)cs1.
What is the InChIKey of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is LLXSNWLFZXVPIM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-20-17(12-23-13)15-6-4-14(5-7-15)8-9-19-18(21)11-16-3-2-10-22-16/h4-7,12,16H,2-3,8-11H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94026439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).