N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

C18H15N3O4S — CID 20995435

IUPACN-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccco4)n3)cc21
InChIInChI=1S/C18H15N3O4S/c1-2-21-13-8-11(5-6-14(13)25-9-16(21)22)12-10-26-18(19-12)20-17(23)15-4-3-7-24-15/h3-8,10H,2,9H2,1H3,(H,19,20,23)
InChIKeyKAZQMISSTQMSTL-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.40
Rot. Bonds4

About N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 20995435) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID20995435
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccco4)n3)cc21
InChIInChI=1S/C18H15N3O4S/c1-2-21-13-8-11(5-6-14(13)25-9-16(21)22)12-10-26-18(19-12)20-17(23)15-4-3-7-24-15/h3-8,10H,2,9H2,1H3,(H,19,20,23)
InChIKeyKAZQMISSTQMSTL-UHFFFAOYSA-N
XLogP3.40
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 20995435) is N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccco4)n3)cc21.
What is the InChIKey of N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is KAZQMISSTQMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-2-21-13-8-11(5-6-14(13)25-9-16(21)22)12-10-26-18(19-12)20-17(23)15-4-3-7-24-15/h3-8,10H,2,9H2,1H3,(H,19,20,23).
What are the key properties of N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 20995435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).