methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate

C10H11N3O2S2 — CID 80571434

IUPACmethyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCCc2nccs2)s1
InChIInChI=1S/C10H11N3O2S2/c1-15-9(14)7-6-13-10(17-7)12-3-2-8-11-4-5-16-8/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyGZHOPXCJYSKJCJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.04
Rot. Bonds5

About methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate

methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate (PubChem CID 80571434) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
PubChem CID80571434
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Namemethyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCCc2nccs2)s1
InChIInChI=1S/C10H11N3O2S2/c1-15-9(14)7-6-13-10(17-7)12-3-2-8-11-4-5-16-8/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyGZHOPXCJYSKJCJ-UHFFFAOYSA-N
XLogP2.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate (CID 80571434) is methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NCCc2nccs2)s1.
What is the InChIKey of methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is GZHOPXCJYSKJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-15-9(14)7-6-13-10(17-7)12-3-2-8-11-4-5-16-8/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 269.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).