methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate

C14H18N2O2S2 — CID 82895032

IUPACmethyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCCc2nc(C)cs2)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-9-19-13(16-10)5-6-15-8-12-4-3-11(20-12)7-14(17)18-2/h3-4,9,15H,5-8H2,1-2H3
InChIKeyIMERHCLNIVVVHF-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.56
Rot. Bonds7

About methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate (PubChem CID 82895032) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
PubChem CID82895032
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Namemethyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCCc2nc(C)cs2)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-9-19-13(16-10)5-6-15-8-12-4-3-11(20-12)7-14(17)18-2/h3-4,9,15H,5-8H2,1-2H3
InChIKeyIMERHCLNIVVVHF-UHFFFAOYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82894780
methyl 2-[5-[(2-acetamidoethylamino)methyl]thiophen-2-yl]acetate
CID 82894116
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
methyl 2-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576697
methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
methyl 2-[5-[(4-methoxybutylamino)methyl]thiophen-2-yl]acetate
CID 82894149
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
methyl 2-[5-[(1,3-thiazol-5-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 104588985
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 102673112
methyl 2-[5-[[(3-ethylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82895050

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate (CID 82895032) is methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNCCc2nc(C)cs2)s1.
What is the InChIKey of methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate?
The InChIKey is IMERHCLNIVVVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-9-19-13(16-10)5-6-15-8-12-4-3-11(20-12)7-14(17)18-2/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate has a molecular weight of 310.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82895032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).