ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate

C18H24N2O4S — CID 143638090

IUPACethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate
SMILESCC.CCOC(=O)c1ccc(-c2sc(NC(=O)C3CCC3)nc2C)o1
InChIInChI=1S/C16H18N2O4S.C2H6/c1-3-21-15(20)12-8-7-11(22-12)13-9(2)17-16(23-13)18-14(19)10-5-4-6-10;1-2/h7-8,10H,3-6H2,1-2H3,(H,17,18,19);1-2H3
InChIKeyUMXZYCNXCYXYIZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.65
Rot. Bonds5

About ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate

ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate (PubChem CID 143638090) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate
PubChem CID143638090
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Nameethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate
SMILESCC.CCOC(=O)c1ccc(-c2sc(NC(=O)C3CCC3)nc2C)o1
InChIInChI=1S/C16H18N2O4S.C2H6/c1-3-21-15(20)12-8-7-11(22-12)13-9(2)17-16(23-13)18-14(19)10-5-4-6-10;1-2/h7-8,10H,3-6H2,1-2H3,(H,17,18,19);1-2H3
InChIKeyUMXZYCNXCYXYIZ-UHFFFAOYSA-N
XLogP4.65
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate?
The IUPAC name of ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate (CID 143638090) is ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate.
What is the SMILES notation for ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate?
The canonical SMILES for ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate is CC.CCOC(=O)c1ccc(-c2sc(NC(=O)C3CCC3)nc2C)o1.
What is the InChIKey of ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate?
The InChIKey is UMXZYCNXCYXYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S.C2H6/c1-3-21-15(20)12-8-7-11(22-12)13-9(2)17-16(23-13)18-14(19)10-5-4-6-10;1-2/h7-8,10H,3-6H2,1-2H3,(H,17,18,19);1-2H3.
What are the key properties of ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate?
ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate has a molecular weight of 364.47 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-[2-(cyclobutanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]furan-2-carboxylate is sourced from PubChem (CID 143638090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).