N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide

C19H16FN3O3S2 — CID 71788345

IUPACN-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccsc1
InChIInChI=1S/C19H16FN3O3S2/c20-13-3-1-2-4-15(13)26-10-17(24)23-7-5-14-16(9-23)28-19(21-14)22-18(25)12-6-8-27-11-12/h1-4,6,8,11H,5,7,9-10H2,(H,21,22,25)
InChIKeyLPLBZDOOLKSTRW-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.56
Rot. Bonds5

About N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide

N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (PubChem CID 71788345) has the molecular formula C19H16FN3O3S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
PubChem CID71788345
Molecular FormulaC19H16FN3O3S2
Molecular Weight417.49 g/mol
Exact Mass417.06
IUPAC NameN-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccsc1
InChIInChI=1S/C19H16FN3O3S2/c20-13-3-1-2-4-15(13)26-10-17(24)23-7-5-14-16(9-23)28-19(21-14)22-18(25)12-6-8-27-11-12/h1-4,6,8,11H,5,7,9-10H2,(H,21,22,25)
InChIKeyLPLBZDOOLKSTRW-UHFFFAOYSA-N
XLogP3.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (CID 71788345) is N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccsc1.
What is the InChIKey of N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
The InChIKey is LPLBZDOOLKSTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S2/c20-13-3-1-2-4-15(13)26-10-17(24)23-7-5-14-16(9-23)28-19(21-14)22-18(25)12-6-8-27-11-12/h1-4,6,8,11H,5,7,9-10H2,(H,21,22,25).
What are the key properties of N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 71788345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).