N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C14H9FN2OS2 — CID 22474502

IUPACN-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(-c2ccc(F)cc2)s1)c1cccs1
InChIInChI=1S/C14H9FN2OS2/c15-10-5-3-9(4-6-10)12-8-16-14(20-12)17-13(18)11-2-1-7-19-11/h1-8H,(H,16,17,18)
InChIKeyCFHDEGOBPJUESQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.26
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 22474502) has the molecular formula C14H9FN2OS2 and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID22474502
Molecular FormulaC14H9FN2OS2
Molecular Weight304.37 g/mol
Exact Mass304.01
IUPAC NameN-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(-c2ccc(F)cc2)s1)c1cccs1
InChIInChI=1S/C14H9FN2OS2/c15-10-5-3-9(4-6-10)12-8-16-14(20-12)17-13(18)11-2-1-7-19-11/h1-8H,(H,16,17,18)
InChIKeyCFHDEGOBPJUESQ-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 22474502) is N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1cccs1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is CFHDEGOBPJUESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS2/c15-10-5-3-9(4-6-10)12-8-16-14(20-12)17-13(18)11-2-1-7-19-11/h1-8H,(H,16,17,18).
What are the key properties of N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 22474502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).