4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine

C38H24F6N8O5S2 — CID 158605417

IUPAC4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine
SMILESNc1nccs1.O=C(Nc1nccs1)c1cncc2c(=O)cc(-c3cccc(C(F)(F)F)c3)[nH]c12.O=C(O)c1cncc2c(=O)cc(-c3cccc(C(F)(F)F)c3)[nH]c12
InChIInChI=1S/C19H11F3N4O2S.C16H9F3N2O3.C3H4N2S/c20-19(21,22)11-3-1-2-10(6-11)14-7-15(27)12-8-23-9-13(16(12)25-14)17(28)26-18-24-4-5-29-18;17-16(18,19)9-3-1-2-8(4-9)12-5-13(22)10-6-20-7-11(15(23)24)14(10)21-12;4-3-5-1-2-6-3/h1-9H,(H,25,27)(H,24,26,28);1-7H,(H,21,22)(H,23,24);1-2H,(H2,4,5)
InChIKeyHWDTXODCGSQCFU-UHFFFAOYSA-N
MW850.78 g/mol
LogP8.35
Rot. Bonds5

About 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine

4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine (PubChem CID 158605417) has the molecular formula C38H24F6N8O5S2 and a molecular weight of 850.78 g/mol. Its IUPAC name is 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine
PubChem CID158605417
Molecular FormulaC38H24F6N8O5S2
Molecular Weight850.78 g/mol
Exact Mass850.12
IUPAC Name4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine
SMILESNc1nccs1.O=C(Nc1nccs1)c1cncc2c(=O)cc(-c3cccc(C(F)(F)F)c3)[nH]c12.O=C(O)c1cncc2c(=O)cc(-c3cccc(C(F)(F)F)c3)[nH]c12
InChIInChI=1S/C19H11F3N4O2S.C16H9F3N2O3.C3H4N2S/c20-19(21,22)11-3-1-2-10(6-11)14-7-15(27)12-8-23-9-13(16(12)25-14)17(28)26-18-24-4-5-29-18;17-16(18,19)9-3-1-2-8(4-9)12-5-13(22)10-6-20-7-11(15(23)24)14(10)21-12;4-3-5-1-2-6-3/h1-9H,(H,25,27)(H,24,26,28);1-7H,(H,21,22)(H,23,24);1-2H,(H2,4,5)
InChIKeyHWDTXODCGSQCFU-UHFFFAOYSA-N
XLogP8.35
TPSA209.70 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.78
LogP ≤ 58.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine?
The IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine (CID 158605417) is 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine.
What is the SMILES notation for 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine?
The canonical SMILES for 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine is Nc1nccs1.O=C(Nc1nccs1)c1cncc2c(=O)cc(-c3cccc(C(F)(F)F)c3)[nH]c12.O=C(O)c1cncc2c(=O)cc(-c3cccc(C(F)(F)F)c3)[nH]c12.
What is the InChIKey of 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine?
The InChIKey is HWDTXODCGSQCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O2S.C16H9F3N2O3.C3H4N2S/c20-19(21,22)11-3-1-2-10(6-11)14-7-15(27)12-8-23-9-13(16(12)25-14)17(28)26-18-24-4-5-29-18;17-16(18,19)9-3-1-2-8(4-9)12-5-13(22)10-6-20-7-11(15(23)24)14(10)21-12;4-3-5-1-2-6-3/h1-9H,(H,25,27)(H,24,26,28);1-7H,(H,21,22)(H,23,24);1-2H,(H2,4,5).
What are the key properties of 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine?
4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine has a molecular weight of 850.78 g/mol, XLogP of 8.35, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxamide;4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-1,6-naphthyridine-8-carboxylic acid;1,3-thiazol-2-amine is sourced from PubChem (CID 158605417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).