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

C11H18N4O3S — CID 83117388

IUPACmethyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O3S/c1-15(2)11(17)13-5-4-12-10-14-8(7-19-10)6-9(16)18-3/h7H,4-6H2,1-3H3,(H,12,14)(H,13,17)
InChIKeyQXHGIXWFEGNHBI-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.54
Rot. Bonds6

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

methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 83117388) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate
PubChem CID83117388
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Namemethyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O3S/c1-15(2)11(17)13-5-4-12-10-14-8(7-19-10)6-9(16)18-3/h7H,4-6H2,1-3H3,(H,12,14)(H,13,17)
InChIKeyQXHGIXWFEGNHBI-UHFFFAOYSA-N
XLogP0.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
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-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
CID 80575758
methyl 2-[2-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 106433870
methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
methyl 2-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576697
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80574916
methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 3-[2-[2-(carbamoylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 107040580
methyl 2-[2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazol-4-yl]acetate
CID 106296025
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575881
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate (CID 83117388) is methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NCCNC(=O)N(C)C)n1.
What is the InChIKey of methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QXHGIXWFEGNHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-15(2)11(17)13-5-4-12-10-14-8(7-19-10)6-9(16)18-3/h7H,4-6H2,1-3H3,(H,12,14)(H,13,17).
What are the key properties of methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 286.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 83117388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).