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

C20H14N2OS2 — CID 3574419

IUPACN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cccs1
InChIInChI=1S/C20H14N2OS2/c23-19(18-10-5-11-24-18)21-16-9-4-8-15(12-16)17-13-25-20(22-17)14-6-2-1-3-7-14/h1-13H,(H,21,23)
InChIKeyIYYXLBPJIUPROM-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.79
Rot. Bonds4

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

N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide (PubChem CID 3574419) has the molecular formula C20H14N2OS2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
PubChem CID3574419
Molecular FormulaC20H14N2OS2
Molecular Weight362.48 g/mol
Exact Mass362.05
IUPAC NameN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cccs1
InChIInChI=1S/C20H14N2OS2/c23-19(18-10-5-11-24-18)21-16-9-4-8-15(12-16)17-13-25-20(22-17)14-6-2-1-3-7-14/h1-13H,(H,21,23)
InChIKeyIYYXLBPJIUPROM-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-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide (CID 3574419) is N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cccs1.
What is the InChIKey of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is IYYXLBPJIUPROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS2/c23-19(18-10-5-11-24-18)21-16-9-4-8-15(12-16)17-13-25-20(22-17)14-6-2-1-3-7-14/h1-13H,(H,21,23).
What are the key properties of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide?
N-[3-(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-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3574419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).