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

C14H18N2O2S2 — CID 143840652

IUPACmethyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate
SMILESCOC(=O)CCc1sc(CCc2csc(N)n2)cc1C
InChIInChI=1S/C14H18N2O2S2/c1-9-7-11(4-3-10-8-19-14(15)16-10)20-12(9)5-6-13(17)18-2/h7-8H,3-6H2,1-2H3,(H2,15,16)
InChIKeySPMWSRJUYOHMPJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.99
Rot. Bonds6

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

methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate (PubChem CID 143840652) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate
PubChem CID143840652
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Namemethyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate
SMILESCOC(=O)CCc1sc(CCc2csc(N)n2)cc1C
InChIInChI=1S/C14H18N2O2S2/c1-9-7-11(4-3-10-8-19-14(15)16-10)20-12(9)5-6-13(17)18-2/h7-8H,3-6H2,1-2H3,(H2,15,16)
InChIKeySPMWSRJUYOHMPJ-UHFFFAOYSA-N
XLogP2.99
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 3-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 43617626
methyl 3-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propanoate
CID 86617829
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
3-(2-amino-1,3-thiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110330212
methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039449
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
methyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039928
tert-butyl N-[3-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propylcarbamoylamino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 87182660
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039914
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
methyl 3-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039611

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate?
The IUPAC name of methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate (CID 143840652) is methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate.
What is the SMILES notation for methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate?
The canonical SMILES for methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate is COC(=O)CCc1sc(CCc2csc(N)n2)cc1C.
What is the InChIKey of methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate?
The InChIKey is SPMWSRJUYOHMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-9-7-11(4-3-10-8-19-14(15)16-10)20-12(9)5-6-13(17)18-2/h7-8H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate?
methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate has a molecular weight of 310.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylthiophen-2-yl]propanoate is sourced from PubChem (CID 143840652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).