2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid

C24H25N3O3S — CID 10137859

IUPAC2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cncs2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C24H25N3O3S/c28-22(29)13-24(21-14-25-15-31-21)12-20(24)16-4-7-19(8-5-16)30-11-9-18-6-3-17-2-1-10-26-23(17)27-18/h3-8,14-15,20H,1-2,9-13H2,(H,26,27)(H,28,29)
InChIKeyVQJJLBREGDXMAY-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.42
Rot. Bonds8

About 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid

2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid (PubChem CID 10137859) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid
PubChem CID10137859
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cncs2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C24H25N3O3S/c28-22(29)13-24(21-14-25-15-31-21)12-20(24)16-4-7-19(8-5-16)30-11-9-18-6-3-17-2-1-10-26-23(17)27-18/h3-8,14-15,20H,1-2,9-13H2,(H,26,27)(H,28,29)
InChIKeyVQJJLBREGDXMAY-UHFFFAOYSA-N
XLogP4.42
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid (CID 10137859) is 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid is O=C(O)CC1(c2cncs2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1.
What is the InChIKey of 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid?
The InChIKey is VQJJLBREGDXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-22(29)13-24(21-14-25-15-31-21)12-20(24)16-4-7-19(8-5-16)30-11-9-18-6-3-17-2-1-10-26-23(17)27-18/h3-8,14-15,20H,1-2,9-13H2,(H,26,27)(H,28,29).
What are the key properties of 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid?
2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid has a molecular weight of 435.55 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]-1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 10137859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).