N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C18H16FN3O4S2 — CID 71788335

IUPACN-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)Cc1cccc(F)c1)CC2)c1ccoc1
InChIInChI=1S/C18H16FN3O4S2/c19-14-3-1-2-12(8-14)11-28(24,25)22-6-4-15-16(9-22)27-18(20-15)21-17(23)13-5-7-26-10-13/h1-3,5,7-8,10H,4,6,9,11H2,(H,20,21,23)
InChIKeyPRJHUTBDYJAWAW-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.02
Rot. Bonds5

About N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 71788335) has the molecular formula C18H16FN3O4S2 and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
PubChem CID71788335
Molecular FormulaC18H16FN3O4S2
Molecular Weight421.48 g/mol
Exact Mass421.06
IUPAC NameN-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)Cc1cccc(F)c1)CC2)c1ccoc1
InChIInChI=1S/C18H16FN3O4S2/c19-14-3-1-2-12(8-14)11-28(24,25)22-6-4-15-16(9-22)27-18(20-15)21-17(23)13-5-7-26-10-13/h1-3,5,7-8,10H,4,6,9,11H2,(H,20,21,23)
InChIKeyPRJHUTBDYJAWAW-UHFFFAOYSA-N
XLogP3.02
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 71788335) is N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is O=C(Nc1nc2c(s1)CN(S(=O)(=O)Cc1cccc(F)c1)CC2)c1ccoc1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The InChIKey is PRJHUTBDYJAWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S2/c19-14-3-1-2-12(8-14)11-28(24,25)22-6-4-15-16(9-22)27-18(20-15)21-17(23)13-5-7-26-10-13/h1-3,5,7-8,10H,4,6,9,11H2,(H,20,21,23).
What are the key properties of N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71788335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).