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

C11H11ClN2O3S — CID 47257600

IUPACmethyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(C)c2ccco2)nc1Cl
InChIInChI=1S/C11H11ClN2O3S/c1-6(7-4-3-5-17-7)13-11-14-9(12)8(18-11)10(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyZSPKAJJCRNZWFO-UHFFFAOYSA-N
MW286.74 g/mol
LogP3.35
Rot. Bonds4

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

methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate (PubChem CID 47257600) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
PubChem CID47257600
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Namemethyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(C)c2ccco2)nc1Cl
InChIInChI=1S/C11H11ClN2O3S/c1-6(7-4-3-5-17-7)13-11-14-9(12)8(18-11)10(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyZSPKAJJCRNZWFO-UHFFFAOYSA-N
XLogP3.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 53.35
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-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate (CID 47257600) is methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(C)c2ccco2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZSPKAJJCRNZWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-6(7-4-3-5-17-7)13-11-14-9(12)8(18-11)10(15)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 286.74 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[1-(furan-2-yl)ethylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47257600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).