2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C21H17N5O2S2 — CID 2168904

IUPAC2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1-c1ccccc1
InChIInChI=1S/C21H17N5O2S2/c22-17-11-18(27)25-21(26(17)15-9-5-2-6-10-15)30-13-19(28)24-20-23-16(12-29-20)14-7-3-1-4-8-14/h1-12H,13,22H2,(H,23,24,28)
InChIKeyJZESGBVOPLCXNA-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.67
Rot. Bonds6

About 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2168904) has the molecular formula C21H17N5O2S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2168904
Molecular FormulaC21H17N5O2S2
Molecular Weight435.53 g/mol
Exact Mass435.08
IUPAC Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1-c1ccccc1
InChIInChI=1S/C21H17N5O2S2/c22-17-11-18(27)25-21(26(17)15-9-5-2-6-10-15)30-13-19(28)24-20-23-16(12-29-20)14-7-3-1-4-8-14/h1-12H,13,22H2,(H,23,24,28)
InChIKeyJZESGBVOPLCXNA-UHFFFAOYSA-N
XLogP3.67
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2168904) is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Nc1cc(=O)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1-c1ccccc1.
What is the InChIKey of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JZESGBVOPLCXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S2/c22-17-11-18(27)25-21(26(17)15-9-5-2-6-10-15)30-13-19(28)24-20-23-16(12-29-20)14-7-3-1-4-8-14/h1-12H,13,22H2,(H,23,24,28).
What are the key properties of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 435.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2168904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).