N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide

C18H22N2O2S — CID 96529611

IUPACN-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCO[C@@H](C)c1nc(CN(C)C(=O)C2(c3ccccc3)CC2)cs1
InChIInChI=1S/C18H22N2O2S/c1-13(22-3)16-19-15(12-23-16)11-20(2)17(21)18(9-10-18)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyWMFFBRGPUSBGGC-ZDUSSCGKSA-N
MW330.45 g/mol
LogP3.54
Rot. Bonds6

About N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide

N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 96529611) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
PubChem CID96529611
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCO[C@@H](C)c1nc(CN(C)C(=O)C2(c3ccccc3)CC2)cs1
InChIInChI=1S/C18H22N2O2S/c1-13(22-3)16-19-15(12-23-16)11-20(2)17(21)18(9-10-18)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyWMFFBRGPUSBGGC-ZDUSSCGKSA-N
XLogP3.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide
CID 71976741
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 109454977
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-[(4-phenyloxan-4-yl)methyl]guanidine
CID 109456858
N-[2-[[N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]benzamide
CID 109455424
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide
CID 75442605
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 109454563
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
CID 75455984
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1,2-dimethylguanidine
CID 109454618
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109457096

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide (CID 96529611) is N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide is CO[C@@H](C)c1nc(CN(C)C(=O)C2(c3ccccc3)CC2)cs1.
What is the InChIKey of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is WMFFBRGPUSBGGC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(22-3)16-19-15(12-23-16)11-20(2)17(21)18(9-10-18)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 96529611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).