methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate

C13H24N2O2S — CID 79246385

IUPACmethyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C13H24N2O2S/c1-8(2)6-10(12(16)17-5)14-13-15-11(7-18-13)9(3)4/h8-11H,6-7H2,1-5H3,(H,14,15)/t10?,11-/m1/s1
InChIKeyKWSQZVQDGFEYJR-RRKGBCIJSA-N
MW272.41 g/mol
LogP2.29
Rot. Bonds5

About methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate

methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate (PubChem CID 79246385) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate
PubChem CID79246385
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Namemethyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C13H24N2O2S/c1-8(2)6-10(12(16)17-5)14-13-15-11(7-18-13)9(3)4/h8-11H,6-7H2,1-5H3,(H,14,15)/t10?,11-/m1/s1
InChIKeyKWSQZVQDGFEYJR-RRKGBCIJSA-N
XLogP2.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate (CID 79246385) is methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate is COC(=O)C(CC(C)C)NC1=N[C@@H](C(C)C)CS1.
What is the InChIKey of methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate?
The InChIKey is KWSQZVQDGFEYJR-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-8(2)6-10(12(16)17-5)14-13-15-11(7-18-13)9(3)4/h8-11H,6-7H2,1-5H3,(H,14,15)/t10?,11-/m1/s1.
What are the key properties of methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate?
methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate has a molecular weight of 272.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]pentanoate is sourced from PubChem (CID 79246385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).