methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate

C11H11ClN2O3S — CID 47370451

IUPACmethyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCCc2ccco2)nc1Cl
InChIInChI=1S/C11H11ClN2O3S/c1-16-10(15)8-9(12)14-11(18-8)13-5-4-7-3-2-6-17-7/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyIWZYEVVITCNWTF-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.83
Rot. Bonds5

About methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate (PubChem CID 47370451) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
PubChem CID47370451
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Namemethyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCCc2ccco2)nc1Cl
InChIInChI=1S/C11H11ClN2O3S/c1-16-10(15)8-9(12)14-11(18-8)13-5-4-7-3-2-6-17-7/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyIWZYEVVITCNWTF-UHFFFAOYSA-N
XLogP2.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate (CID 47370451) is methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCCc2ccco2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is IWZYEVVITCNWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-16-10(15)8-9(12)14-11(18-8)13-5-4-7-3-2-6-17-7/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 286.74 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47370451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).