2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide

C18H15N3O4S — CID 43051598

IUPAC2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C18H15N3O4S/c1-9-16(22)20-12-8-11(5-6-13(12)25-9)19-17(23)15-10(2)26-18(21-15)14-4-3-7-24-14/h3-9H,1-2H3,(H,19,23)(H,20,22)
InChIKeyJPCBTKGRPYFZFD-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.68
Rot. Bonds3

About 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide (PubChem CID 43051598) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
PubChem CID43051598
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C18H15N3O4S/c1-9-16(22)20-12-8-11(5-6-13(12)25-9)19-17(23)15-10(2)26-18(21-15)14-4-3-7-24-14/h3-9H,1-2H3,(H,19,23)(H,20,22)
InChIKeyJPCBTKGRPYFZFD-UHFFFAOYSA-N
XLogP3.68
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide (CID 43051598) is 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JPCBTKGRPYFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-9-16(22)20-12-8-11(5-6-13(12)25-9)19-17(23)15-10(2)26-18(21-15)14-4-3-7-24-14/h3-9H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43051598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).