ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate

C14H23N3O6S — CID 170832737

IUPACethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1C(O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O6S/c1-5-22-11(20)8-10(24-12(15)17-8)9(19)7(18)6-16-13(21)23-14(2,3)4/h7,9,18-19H,5-6H2,1-4H3,(H2,15,17)(H,16,21)
InChIKeyLMVYWAWMPASGMM-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.82
Rot. Bonds6

About ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate

ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate (PubChem CID 170832737) has the molecular formula C14H23N3O6S and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate
PubChem CID170832737
Molecular FormulaC14H23N3O6S
Molecular Weight361.42 g/mol
Exact Mass361.13
IUPAC Nameethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1C(O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O6S/c1-5-22-11(20)8-10(24-12(15)17-8)9(19)7(18)6-16-13(21)23-14(2,3)4/h7,9,18-19H,5-6H2,1-4H3,(H2,15,17)(H,16,21)
InChIKeyLMVYWAWMPASGMM-UHFFFAOYSA-N
XLogP0.82
TPSA144.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-amino-5-(3-chloro-1,2-dihydroxypropyl)-1,3-thiazole-4-carboxylate
CID 171862655
ethyl 2-amino-5-(3-azido-1,2-dihydroxypropyl)-1,3-thiazole-4-carboxylate
CID 170826643
2-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 170832200
tert-butyl N-[2,3-dihydroxy-3-(5-methyl-1,3-thiazol-2-yl)propyl]carbamate
CID 170831524
tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831786
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[3-(4,5-diamino-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832087
tert-butyl N-[3-(4-formyl-1,3-thiazol-2-yl)-2,3-dihydroxypropyl]carbamate
CID 170831615
tert-butyl N-[3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropyl]carbamate
CID 170832283
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
methyl 5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thiophene-2-carboxylate
CID 170831971
tert-butyl N-[3-(2-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831836

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate (CID 170832737) is ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N)sc1C(O)C(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate?
The InChIKey is LMVYWAWMPASGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6S/c1-5-22-11(20)8-10(24-12(15)17-8)9(19)7(18)6-16-13(21)23-14(2,3)4/h7,9,18-19H,5-6H2,1-4H3,(H2,15,17)(H,16,21).
What are the key properties of ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate?
ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 170832737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).