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

C23H28N4O3S2 — CID 11754575

IUPAC3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
SMILESCOCc1ncc(C(CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)s1
InChIInChI=1S/C23H28N4O3S2/c1-30-13-21-25-12-19(32-21)16(11-22(28)29)10-18-14-31-20(26-18)6-2-5-17-8-7-15-4-3-9-24-23(15)27-17/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,24,27)(H,28,29)
InChIKeyYKGDXSKYOQQGRW-UHFFFAOYSA-N
MW472.64 g/mol
LogP4.48
Rot. Bonds11

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

3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 11754575) has the molecular formula C23H28N4O3S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
PubChem CID11754575
Molecular FormulaC23H28N4O3S2
Molecular Weight472.64 g/mol
Exact Mass472.16
IUPAC Name3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
SMILESCOCc1ncc(C(CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)s1
InChIInChI=1S/C23H28N4O3S2/c1-30-13-21-25-12-19(32-21)16(11-22(28)29)10-18-14-31-20(26-18)6-2-5-17-8-7-15-4-3-9-24-23(15)27-17/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,24,27)(H,28,29)
InChIKeyYKGDXSKYOQQGRW-UHFFFAOYSA-N
XLogP4.48
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-(2-Methylbenzo[d]thiazol-5-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 9983143
4-(2-(3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)-3-p-tolylbutanoic acid
CID 10003119
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-(3-Fluorophenyl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10410948
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-(4-Chlorophenyl)thiazol-5-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10482388
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-oxadiazol-2-yl]butanoic acid;2,2,2-trifluoroacetic acid
CID 10053048
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
Ethyl 3-(3-fluorophenyl)-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoate
CID 21934504
Ethyl 3-(3,4-difluorophenyl)-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoate
CID 21934550
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid (CID 11754575) is 3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid is COCc1ncc(C(CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)s1.
What is the InChIKey of 3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is YKGDXSKYOQQGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2/c1-30-13-21-25-12-19(32-21)16(11-22(28)29)10-18-14-31-20(26-18)6-2-5-17-8-7-15-4-3-9-24-23(15)27-17/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,24,27)(H,28,29).
What are the key properties of 3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 472.64 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-1,3-thiazol-5-yl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 11754575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).