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

C19H16FN3O3S2 — CID 71788297

IUPACN-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)CSc1ccc(F)cc1)CC2)c1ccoc1
InChIInChI=1S/C19H16FN3O3S2/c20-13-1-3-14(4-2-13)27-11-17(24)23-7-5-15-16(9-23)28-19(21-15)22-18(25)12-6-8-26-10-12/h1-4,6,8,10H,5,7,9,11H2,(H,21,22,25)
InChIKeyXSUMDZMZQFXSCL-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.80
Rot. Bonds5

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

N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 71788297) has the molecular formula C19H16FN3O3S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
PubChem CID71788297
Molecular FormulaC19H16FN3O3S2
Molecular Weight417.49 g/mol
Exact Mass417.06
IUPAC NameN-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)CSc1ccc(F)cc1)CC2)c1ccoc1
InChIInChI=1S/C19H16FN3O3S2/c20-13-1-3-14(4-2-13)27-11-17(24)23-7-5-15-16(9-23)28-19(21-15)22-18(25)12-6-8-26-10-12/h1-4,6,8,10H,5,7,9,11H2,(H,21,22,25)
InChIKeyXSUMDZMZQFXSCL-UHFFFAOYSA-N
XLogP3.80
TPSA75.44 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35509215
N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
CID 14330409
2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 18196611
N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948282
2-methyl-N-{4-[(phenylcarbamoyl)methyl]-1,3-thiazol-2-yl}furan-3-carboxamide
CID 45829031
N-[4-[2-[1-(3-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 45902998
2-methyl-N-[4-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 45903094
N-[5-(cyclopropanesulfonyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 71788225
2-(furan-3-carboxamido)-N-(2-(trifluoromethyl)phenyl)-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxamide
CID 71788324
N-(5-((3-fluorobenzyl)sulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 71788335
N-(5-(2-(2-fluorophenoxy)acetyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide
CID 71788345
N-[5-(Benzenesulfonyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-C]pyridin-2-YL]furan-3-carboxamide
CID 50832344

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 71788297) is N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)CSc1ccc(F)cc1)CC2)c1ccoc1.
What is the InChIKey of N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The InChIKey is XSUMDZMZQFXSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S2/c20-13-1-3-14(4-2-13)27-11-17(24)23-7-5-15-16(9-23)28-19(21-15)22-18(25)12-6-8-26-10-12/h1-4,6,8,10H,5,7,9,11H2,(H,21,22,25).
What are the key properties of N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71788297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).