3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid

C23H26F3N5O5S — CID 10053048

IUPAC3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid
SMILESCc1ncc(C(CC(=O)O)Cc2nnc(CCCc3ccc4c(n3)NCCC4)o2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N5O3S.C2HF3O2/c1-13-23-12-17(30-13)15(11-20(27)28)10-19-26-25-18(29-19)6-2-5-16-8-7-14-4-3-9-22-21(14)24-16;3-2(4,5)1(6)7/h7-8,12,15H,2-6,9-11H2,1H3,(H,22,24)(H,27,28);(H,6,7)
InChIKeyRIAGAZGVRHSWPM-UHFFFAOYSA-N
MW541.55 g/mol
LogP4.20
Rot. Bonds9

About 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid

3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 10053048) has the molecular formula C23H26F3N5O5S and a molecular weight of 541.55 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid
PubChem CID10053048
Molecular FormulaC23H26F3N5O5S
Molecular Weight541.55 g/mol
Exact Mass541.16
IUPAC Name3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid
SMILESCc1ncc(C(CC(=O)O)Cc2nnc(CCCc3ccc4c(n3)NCCC4)o2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N5O3S.C2HF3O2/c1-13-23-12-17(30-13)15(11-20(27)28)10-19-26-25-18(29-19)6-2-5-16-8-7-14-4-3-9-22-21(14)24-16;3-2(4,5)1(6)7/h7-8,12,15H,2-6,9-11H2,1H3,(H,22,24)(H,27,28);(H,6,7)
InChIKeyRIAGAZGVRHSWPM-UHFFFAOYSA-N
XLogP4.20
TPSA151.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.55
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-(2-Cyclopropylthiazol-5-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10367371
3-(2-Phenylthiazol-5-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10436174
3-(2-(Methoxymethyl)thiazol-5-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 11754575
3-(2-Methylthiazol-5-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)-1,2,4-oxadiazol-5-yl)butanoic acid
CID 44407524
3-(2-Methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-thiadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid
CID 10347704
2-[8-[5-[6-[[4-(Trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 58707082
3-(2-Methyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid;2,2,2-trifluoroacetic acid
CID 68409868
(2,2,2-Trifluoroacetyl) 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoate
CID 87443251
(2,2,2-Trifluoroacetyl) 3-(2-methyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 87443278
(2,2,2-Trifluoroacetyl) 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-thiadiazol-2-yl]butanoate
CID 87443398
1-[5-[3-(5-Methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydropyridin-5-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-propylurea
CID 162585947
3-(2-Methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid
CID 10053049

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid (CID 10053048) is 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid is Cc1ncc(C(CC(=O)O)Cc2nnc(CCCc3ccc4c(n3)NCCC4)o2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is RIAGAZGVRHSWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S.C2HF3O2/c1-13-23-12-17(30-13)15(11-20(27)28)10-19-26-25-18(29-19)6-2-5-16-8-7-14-4-3-9-22-21(14)24-16;3-2(4,5)1(6)7/h7-8,12,15H,2-6,9-11H2,1H3,(H,22,24)(H,27,28);(H,6,7).
What are the key properties of 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid?
3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 541.55 g/mol, XLogP of 4.20, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-5-yl)-4-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 10053048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).