N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide

C20H16N4O2S — CID 56724542

IUPACN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccc2ncsc2c1
InChIInChI=1S/C20H16N4O2S/c25-19-11-17(14-4-2-1-3-5-14)22-12-24(19)9-8-21-20(26)15-6-7-16-18(10-15)27-13-23-16/h1-7,10-13H,8-9H2,(H,21,26)
InChIKeyGFJHCTKJUJLMDZ-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide

N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 56724542) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID56724542
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccc2ncsc2c1
InChIInChI=1S/C20H16N4O2S/c25-19-11-17(14-4-2-1-3-5-14)22-12-24(19)9-8-21-20(26)15-6-7-16-18(10-15)27-13-23-16/h1-7,10-13H,8-9H2,(H,21,26)
InChIKeyGFJHCTKJUJLMDZ-UHFFFAOYSA-N
XLogP2.95
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide (CID 56724542) is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide is O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is GFJHCTKJUJLMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-19-11-17(14-4-2-1-3-5-14)22-12-24(19)9-8-21-20(26)15-6-7-16-18(10-15)27-13-23-16/h1-7,10-13H,8-9H2,(H,21,26).
What are the key properties of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 56724542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).