3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide

C12H8ClFN2OS2 — CID 2386708

IUPAC3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1=NCCS1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C12H8ClFN2OS2/c13-9-7-2-1-6(14)5-8(7)19-10(9)11(17)16-12-15-3-4-18-12/h1-2,5H,3-4H2,(H,15,16,17)
InChIKeyWIYIHXHWMONCNB-UHFFFAOYSA-N
MW314.79 g/mol
LogP3.53
Rot. Bonds1

About 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide

3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 2386708) has the molecular formula C12H8ClFN2OS2 and a molecular weight of 314.79 g/mol. Its IUPAC name is 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID2386708
Molecular FormulaC12H8ClFN2OS2
Molecular Weight314.79 g/mol
Exact Mass313.98
IUPAC Name3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1=NCCS1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C12H8ClFN2OS2/c13-9-7-2-1-6(14)5-8(7)19-10(9)11(17)16-12-15-3-4-18-12/h1-2,5H,3-4H2,(H,15,16,17)
InChIKeyWIYIHXHWMONCNB-UHFFFAOYSA-N
XLogP3.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 2386708) is 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide is O=C(NC1=NCCS1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is WIYIHXHWMONCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2OS2/c13-9-7-2-1-6(14)5-8(7)19-10(9)11(17)16-12-15-3-4-18-12/h1-2,5H,3-4H2,(H,15,16,17).
What are the key properties of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 314.79 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2386708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).