(3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate

C16H15N3O3S — CID 167937880

IUPAC(3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCc1ccc2c(=O)c(C(=O)OCc3c(C)nsc3C)c[nH]c2n1
InChIInChI=1S/C16H15N3O3S/c1-8-4-5-11-14(20)12(6-17-15(11)18-8)16(21)22-7-13-9(2)19-23-10(13)3/h4-6H,7H2,1-3H3,(H,17,18,20)
InChIKeyZYYZLHSGZWPXGH-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.66
Rot. Bonds3

About (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate

(3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 167937880) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID167937880
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name(3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCc1ccc2c(=O)c(C(=O)OCc3c(C)nsc3C)c[nH]c2n1
InChIInChI=1S/C16H15N3O3S/c1-8-4-5-11-14(20)12(6-17-15(11)18-8)16(21)22-7-13-9(2)19-23-10(13)3/h4-6H,7H2,1-3H3,(H,17,18,20)
InChIKeyZYYZLHSGZWPXGH-UHFFFAOYSA-N
XLogP2.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 167937880) is (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate is Cc1ccc2c(=O)c(C(=O)OCc3c(C)nsc3C)c[nH]c2n1.
What is the InChIKey of (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is ZYYZLHSGZWPXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-8-4-5-11-14(20)12(6-17-15(11)18-8)16(21)22-7-13-9(2)19-23-10(13)3/h4-6H,7H2,1-3H3,(H,17,18,20).
What are the key properties of (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
(3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 167937880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).