methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate

C7H12N2O2S — CID 61295194

IUPACmethyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
SMILESCOC(=O)CCNC1=NCCS1
InChIInChI=1S/C7H12N2O2S/c1-11-6(10)2-3-8-7-9-4-5-12-7/h2-5H2,1H3,(H,8,9)
InChIKeyVLAUFWFQAYILKR-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.24
Rot. Bonds3

About methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate

methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate (PubChem CID 61295194) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
PubChem CID61295194
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Namemethyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
SMILESCOC(=O)CCNC1=NCCS1
InChIInChI=1S/C7H12N2O2S/c1-11-6(10)2-3-8-7-9-4-5-12-7/h2-5H2,1H3,(H,8,9)
InChIKeyVLAUFWFQAYILKR-UHFFFAOYSA-N
XLogP0.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-Dihydro-1,3-thiazol-2-ylamino)propanoic acid
CID 10702379
3-(4,5-Dihydro-1,3-thiazol-2-ylamino)butanoic acid
CID 13713480
Methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropanoate
CID 68095865
3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoic acid
CID 68210523
Methyl 3-[(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 123541293
3-(2-Methylimino-1,3-thiazolidin-3-ium-3-yl)propanoic acid
CID 4577966
methyl 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61295193
Methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61295197
ethyl 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61960676
Ethyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61960677
Ethyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61960867
methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
CID 65036368

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate?
The IUPAC name of methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate (CID 61295194) is methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate is COC(=O)CCNC1=NCCS1.
What is the InChIKey of methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate?
The InChIKey is VLAUFWFQAYILKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-11-6(10)2-3-8-7-9-4-5-12-7/h2-5H2,1H3,(H,8,9).
What are the key properties of methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate?
methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate has a molecular weight of 188.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate is sourced from PubChem (CID 61295194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).