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

C16H13FN2OS2 — CID 127045643

IUPACN-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2F)cs1)c1cccs1
InChIInChI=1S/C16H13FN2OS2/c17-12-5-2-1-4-11(12)13-10-22-15(19-13)7-8-18-16(20)14-6-3-9-21-14/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyACULFBMBJSPMCN-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.98
Rot. Bonds5

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

N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 127045643) has the molecular formula C16H13FN2OS2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID127045643
Molecular FormulaC16H13FN2OS2
Molecular Weight332.42 g/mol
Exact Mass332.05
IUPAC NameN-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2F)cs1)c1cccs1
InChIInChI=1S/C16H13FN2OS2/c17-12-5-2-1-4-11(12)13-10-22-15(19-13)7-8-18-16(20)14-6-3-9-21-14/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyACULFBMBJSPMCN-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide (CID 127045643) is N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide is O=C(NCCc1nc(-c2ccccc2F)cs1)c1cccs1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is ACULFBMBJSPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS2/c17-12-5-2-1-4-11(12)13-10-22-15(19-13)7-8-18-16(20)14-6-3-9-21-14/h1-6,9-10H,7-8H2,(H,18,20).
What are the key properties of N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 127045643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).