ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate

C15H18N2O4S — CID 71120399

IUPACethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(C2SC(NC(=O)C3CC3)=NC2C)o1
InChIInChI=1S/C15H18N2O4S/c1-3-20-14(19)11-7-6-10(21-11)12-8(2)16-15(22-12)17-13(18)9-4-5-9/h6-9,12H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyJBJQTAZNPZDTQH-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.51
Rot. Bonds4

About ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate

ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate (PubChem CID 71120399) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate
PubChem CID71120399
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Nameethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(C2SC(NC(=O)C3CC3)=NC2C)o1
InChIInChI=1S/C15H18N2O4S/c1-3-20-14(19)11-7-6-10(21-11)12-8(2)16-15(22-12)17-13(18)9-4-5-9/h6-9,12H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyJBJQTAZNPZDTQH-UHFFFAOYSA-N
XLogP2.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate (CID 71120399) is ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate is CCOC(=O)c1ccc(C2SC(NC(=O)C3CC3)=NC2C)o1.
What is the InChIKey of ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate?
The InChIKey is JBJQTAZNPZDTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-3-20-14(19)11-7-6-10(21-11)12-8(2)16-15(22-12)17-13(18)9-4-5-9/h6-9,12H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate?
ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(cyclopropanecarbonylamino)-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]furan-2-carboxylate is sourced from PubChem (CID 71120399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).