8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide

C19H12N6O4S — CID 167139166

IUPAC8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2c(N)c(-c3ncc(-c4ccc5oc(=O)[nH]c5c4)s3)c(=O)[nH]c2c1
InChIInChI=1S/C19H12N6O4S/c20-14-13(17(27)24-10-4-8(16(21)26)5-22-15(10)14)18-23-6-12(30-18)7-1-2-11-9(3-7)25-19(28)29-11/h1-6H,(H2,21,26)(H,25,28)(H3,20,24,27)
InChIKeyXRAUSIIOCLFEFO-UHFFFAOYSA-N
MW420.41 g/mol
LogP1.83
Rot. Bonds3

About 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide

8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 167139166) has the molecular formula C19H12N6O4S and a molecular weight of 420.41 g/mol. Its IUPAC name is 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide
PubChem CID167139166
Molecular FormulaC19H12N6O4S
Molecular Weight420.41 g/mol
Exact Mass420.06
IUPAC Name8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2c(N)c(-c3ncc(-c4ccc5oc(=O)[nH]c5c4)s3)c(=O)[nH]c2c1
InChIInChI=1S/C19H12N6O4S/c20-14-13(17(27)24-10-4-8(16(21)26)5-22-15(10)14)18-23-6-12(30-18)7-1-2-11-9(3-7)25-19(28)29-11/h1-6H,(H2,21,26)(H,25,28)(H3,20,24,27)
InChIKeyXRAUSIIOCLFEFO-UHFFFAOYSA-N
XLogP1.83
TPSA173.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide (CID 167139166) is 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide is NC(=O)c1cnc2c(N)c(-c3ncc(-c4ccc5oc(=O)[nH]c5c4)s3)c(=O)[nH]c2c1.
What is the InChIKey of 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is XRAUSIIOCLFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O4S/c20-14-13(17(27)24-10-4-8(16(21)26)5-22-15(10)14)18-23-6-12(30-18)7-1-2-11-9(3-7)25-19(28)29-11/h1-6H,(H2,21,26)(H,25,28)(H3,20,24,27).
What are the key properties of 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide?
8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 420.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-oxo-7-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 167139166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).