methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate

C15H16N2O4S — CID 86336679

IUPACmethyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc([C@@H](C)NC(=O)OCc2ccccc2)s1
InChIInChI=1S/C15H16N2O4S/c1-10(13-16-8-12(22-13)14(18)20-2)17-15(19)21-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyFGHMNKXYFXRYLA-SNVBAGLBSA-N
MW320.37 g/mol
LogP2.92
Rot. Bonds5

About methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate

methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate (PubChem CID 86336679) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate
PubChem CID86336679
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc([C@@H](C)NC(=O)OCc2ccccc2)s1
InChIInChI=1S/C15H16N2O4S/c1-10(13-16-8-12(22-13)14(18)20-2)17-15(19)21-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyFGHMNKXYFXRYLA-SNVBAGLBSA-N
XLogP2.92
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[1-[5-[(6-tert-butylpyrimidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate;bromomethane
CID 91388143
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
2-[5-[(1S)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-thiazol-2-yl]propanoic acid
CID 118184175
methyl 2-[2-[3-methyl-1-(phenylmethoxycarbonylamino)butyl]-1,3-thiazol-5-yl]propanoate
CID 70089189
benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
CID 10804659
methyl 2-[(1S)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate
CID 126422922
methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate
CID 126422923
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate
CID 163278804
methyl 2-(2-phenylethyl)-1,3-thiazole-5-carboxylate
CID 80572742

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate (CID 86336679) is methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc([C@@H](C)NC(=O)OCc2ccccc2)s1.
What is the InChIKey of methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate?
The InChIKey is FGHMNKXYFXRYLA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10(13-16-8-12(22-13)14(18)20-2)17-15(19)21-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate?
methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86336679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).