2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C16H16N4OS2 — CID 1442829

IUPAC2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1nc(SCC(=O)Nc2nccs2)c2ccccc2n1
InChIInChI=1S/C16H16N4OS2/c1-10(2)14-18-12-6-4-3-5-11(12)15(20-14)23-9-13(21)19-16-17-7-8-22-16/h3-8,10H,9H2,1-2H3,(H,17,19,21)
InChIKeyHEUDEZJRXQYWFL-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.94
Rot. Bonds5

About 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1442829) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1442829
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1nc(SCC(=O)Nc2nccs2)c2ccccc2n1
InChIInChI=1S/C16H16N4OS2/c1-10(2)14-18-12-6-4-3-5-11(12)15(20-14)23-9-13(21)19-16-17-7-8-22-16/h3-8,10H,9H2,1-2H3,(H,17,19,21)
InChIKeyHEUDEZJRXQYWFL-UHFFFAOYSA-N
XLogP3.94
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 1442829) is 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is CC(C)c1nc(SCC(=O)Nc2nccs2)c2ccccc2n1.
What is the InChIKey of 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HEUDEZJRXQYWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-10(2)14-18-12-6-4-3-5-11(12)15(20-14)23-9-13(21)19-16-17-7-8-22-16/h3-8,10H,9H2,1-2H3,(H,17,19,21).
What are the key properties of 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1442829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).