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

C20H14N2OS2 — CID 3132226

IUPACN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccs1
InChIInChI=1S/C20H14N2OS2/c23-19(18-7-4-12-24-18)21-16-10-8-14(9-11-16)17-13-25-20(22-17)15-5-2-1-3-6-15/h1-13H,(H,21,23)
InChIKeyABUVPFGMOSETEU-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.79
Rot. Bonds4

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

N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide (PubChem CID 3132226) has the molecular formula C20H14N2OS2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
PubChem CID3132226
Molecular FormulaC20H14N2OS2
Molecular Weight362.48 g/mol
Exact Mass362.05
IUPAC NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccs1
InChIInChI=1S/C20H14N2OS2/c23-19(18-7-4-12-24-18)21-16-10-8-14(9-11-16)17-13-25-20(22-17)15-5-2-1-3-6-15/h1-13H,(H,21,23)
InChIKeyABUVPFGMOSETEU-UHFFFAOYSA-N
XLogP5.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide (CID 3132226) is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccs1.
What is the InChIKey of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is ABUVPFGMOSETEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS2/c23-19(18-7-4-12-24-18)21-16-10-8-14(9-11-16)17-13-25-20(22-17)15-5-2-1-3-6-15/h1-13H,(H,21,23).
What are the key properties of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide?
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3132226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).