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

C14H11FN2OS2 — CID 51188647

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NC1=NCCS1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C14H11FN2OS2/c15-10-3-1-9(2-4-10)11-5-6-12(20-11)13(18)17-14-16-7-8-19-14/h1-6H,7-8H2,(H,16,17,18)
InChIKeyZTBCEDYWEZYPPL-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.39
Rot. Bonds2

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 51188647) has the molecular formula C14H11FN2OS2 and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID51188647
Molecular FormulaC14H11FN2OS2
Molecular Weight306.39 g/mol
Exact Mass306.03
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NC1=NCCS1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C14H11FN2OS2/c15-10-3-1-9(2-4-10)11-5-6-12(20-11)13(18)17-14-16-7-8-19-14/h1-6H,7-8H2,(H,16,17,18)
InChIKeyZTBCEDYWEZYPPL-UHFFFAOYSA-N
XLogP3.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 51188647) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide is O=C(NC1=NCCS1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is ZTBCEDYWEZYPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS2/c15-10-3-1-9(2-4-10)11-5-6-12(20-11)13(18)17-14-16-7-8-19-14/h1-6H,7-8H2,(H,16,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 51188647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).