6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone

C17H13FN2OS2 — CID 17464631

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccc(F)cc2)n1)N1CCc2sccc2C1
InChIInChI=1S/C17H13FN2OS2/c18-13-3-1-11(2-4-13)16-19-14(10-23-16)17(21)20-7-5-15-12(9-20)6-8-22-15/h1-4,6,8,10H,5,7,9H2
InChIKeySBDCIJUTOKVKIX-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.21
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 17464631) has the molecular formula C17H13FN2OS2 and a molecular weight of 344.44 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID17464631
Molecular FormulaC17H13FN2OS2
Molecular Weight344.44 g/mol
Exact Mass344.05
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccc(F)cc2)n1)N1CCc2sccc2C1
InChIInChI=1S/C17H13FN2OS2/c18-13-3-1-11(2-4-13)16-19-14(10-23-16)17(21)20-7-5-15-12(9-20)6-8-22-15/h1-4,6,8,10H,5,7,9H2
InChIKeySBDCIJUTOKVKIX-UHFFFAOYSA-N
XLogP4.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone (CID 17464631) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccc(F)cc2)n1)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is SBDCIJUTOKVKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS2/c18-13-3-1-11(2-4-13)16-19-14(10-23-16)17(21)20-7-5-15-12(9-20)6-8-22-15/h1-4,6,8,10H,5,7,9H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 344.44 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 17464631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).