7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C15H13ClN4O3S — CID 142434488

IUPAC7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(Cl)nc2c1c(=O)c(C(=O)O)cn2-c1nc(C(C)C)ns1
InChIInChI=1S/C15H13ClN4O3S/c1-6(2)12-18-15(24-19-12)20-5-8(14(22)23)11(21)10-7(3)4-9(16)17-13(10)20/h4-6H,1-3H3,(H,22,23)
InChIKeyNSLHXVUILSRGDE-UHFFFAOYSA-N
MW364.81 g/mol
LogP3.02
Rot. Bonds3

About 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434488) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434488
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(Cl)nc2c1c(=O)c(C(=O)O)cn2-c1nc(C(C)C)ns1
InChIInChI=1S/C15H13ClN4O3S/c1-6(2)12-18-15(24-19-12)20-5-8(14(22)23)11(21)10-7(3)4-9(16)17-13(10)20/h4-6H,1-3H3,(H,22,23)
InChIKeyNSLHXVUILSRGDE-UHFFFAOYSA-N
XLogP3.02
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434488) is 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(Cl)nc2c1c(=O)c(C(=O)O)cn2-c1nc(C(C)C)ns1.
What is the InChIKey of 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is NSLHXVUILSRGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-6(2)12-18-15(24-19-12)20-5-8(14(22)23)11(21)10-7(3)4-9(16)17-13(10)20/h4-6H,1-3H3,(H,22,23).
What are the key properties of 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 364.81 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-4-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).