2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid

C22H18ClFN2O5S — CID 72949068

IUPAC2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)OCc1ccccc1F
InChIInChI=1S/C22H18ClFN2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)/t20-/m1/s1
InChIKeyMJBAYXKUOCBPKE-HXUWFJFHSA-N
MW476.91 g/mol
LogP4.68
Rot. Bonds6

About 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid

2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid (PubChem CID 72949068) has the molecular formula C22H18ClFN2O5S and a molecular weight of 476.91 g/mol. Its IUPAC name is 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid
PubChem CID72949068
Molecular FormulaC22H18ClFN2O5S
Molecular Weight476.91 g/mol
Exact Mass476.06
IUPAC Name2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)OCc1ccccc1F
InChIInChI=1S/C22H18ClFN2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)/t20-/m1/s1
InChIKeyMJBAYXKUOCBPKE-HXUWFJFHSA-N
XLogP4.68
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.91
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid (CID 72949068) is 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid is O=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)OCc1ccccc1F.
What is the InChIKey of 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid?
The InChIKey is MJBAYXKUOCBPKE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18ClFN2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)/t20-/m1/s1.
What are the key properties of 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid?
2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid has a molecular weight of 476.91 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(4R)-5-[(2-fluorophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 72949068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).