methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate

C11H20N2O2S — CID 107154044

IUPACmethyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCOC(=O)CCNC1=NCC(CC(C)C)S1
InChIInChI=1S/C11H20N2O2S/c1-8(2)6-9-7-13-11(16-9)12-5-4-10(14)15-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyZQBPVYDCHNYRTE-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds5

About methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate

methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (PubChem CID 107154044) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
PubChem CID107154044
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Namemethyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCOC(=O)CCNC1=NCC(CC(C)C)S1
InChIInChI=1S/C11H20N2O2S/c1-8(2)6-9-7-13-11(16-9)12-5-4-10(14)15-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyZQBPVYDCHNYRTE-UHFFFAOYSA-N
XLogP1.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate with MolForge

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Related Compounds

N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 113492449
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154602
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153789
methyl 3-[1-(4-methylphenyl)ethylamino]propanoate
CID 43139755
methyl 3-(2-methylpropoxyamino)propanoate
CID 82715640
dimethyl 3,4,4-trimethylheptanedioate
CID 121007817
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
methyl 3-[(2R)-thiiran-2-yl]propanoate
CID 101021793
methyl 3-(2-methylpentan-3-ylamino)propanoate
CID 43774714
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (CID 107154044) is methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is COC(=O)CCNC1=NCC(CC(C)C)S1.
What is the InChIKey of methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The InChIKey is ZQBPVYDCHNYRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(2)6-9-7-13-11(16-9)12-5-4-10(14)15-3/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate has a molecular weight of 244.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is sourced from PubChem (CID 107154044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).