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

C10H16N2O2S — CID 63296568

IUPACmethyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCOC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H16N2O2S/c1-14-9(13)4-5-11-10-12-6-8(15-10)7-2-3-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyFRJHRPJCQOOZHF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.02
Rot. Bonds4

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

methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 63296568) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
PubChem CID63296568
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCOC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H16N2O2S/c1-14-9(13)4-5-11-10-12-6-8(15-10)7-2-3-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyFRJHRPJCQOOZHF-UHFFFAOYSA-N
XLogP1.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (CID 63296568) is methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is COC(=O)CCNC1=NCC(C2CC2)S1.
What is the InChIKey of methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The InChIKey is FRJHRPJCQOOZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-14-9(13)4-5-11-10-12-6-8(15-10)7-2-3-7/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate has a molecular weight of 228.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 63296568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).