ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate

C11H18N2O3S — CID 11086431

IUPACethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N[C@H](CO)C(C)C)s1
InChIInChI=1S/C11H18N2O3S/c1-4-16-10(15)9-5-12-11(17-9)13-8(6-14)7(2)3/h5,7-8,14H,4,6H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyLEQMWMXGLVMVAE-MRVPVSSYSA-N
MW258.34 g/mol
LogP1.75
Rot. Bonds6

About ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate

ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 11086431) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate
PubChem CID11086431
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Nameethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N[C@H](CO)C(C)C)s1
InChIInChI=1S/C11H18N2O3S/c1-4-16-10(15)9-5-12-11(17-9)13-8(6-14)7(2)3/h5,7-8,14H,4,6H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyLEQMWMXGLVMVAE-MRVPVSSYSA-N
XLogP1.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
Lithium 2-((2-methoxyethyl)amino)-1,3-thiazole-5-carboxylate
CID 138040570
Ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate
CID 15503788
2-(Ethylamino)-1,3-thiazole-5-carboxylic acid
CID 54595878
Methyl 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylate
CID 80571432
Methyl 2-[2-(2,2,2-trifluoroethoxy)ethylamino]-1,3-thiazole-5-carboxylate
CID 80571571
2-[2-(2,2,2-Trifluoroethoxy)ethylamino]-1,3-thiazole-5-carboxylic acid
CID 80571572
2-[2-(2,2-Difluoroethoxy)ethylamino]-1,3-thiazole-5-carboxylic acid
CID 105922908
Methyl 2-[2-(2,2-difluoroethoxy)ethylamino]-1,3-thiazole-5-carboxylate
CID 105922937
Methyl 2-(4,4,4-trifluorobutan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 105944883
Ethyl 2-[(1,1,1-trifluoropropan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 137701475
Methyl 2-[(1,1,1-trifluoropropan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 165896555

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate (CID 11086431) is ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(N[C@H](CO)C(C)C)s1.
What is the InChIKey of ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LEQMWMXGLVMVAE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-16-10(15)9-5-12-11(17-9)13-8(6-14)7(2)3/h5,7-8,14H,4,6H2,1-3H3,(H,12,13)/t8-/m1/s1.
What are the key properties of ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 258.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 11086431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).