2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C20H19N5OS2 — CID 2463210

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)n(-c2ccccc2)n1
InChIInChI=1S/C20H19N5OS2/c1-12-9-16(25(24-12)15-7-5-4-6-8-15)23-17(26)10-27-19-18-13(2)14(3)28-20(18)22-11-21-19/h4-9,11H,10H2,1-3H3,(H,23,26)
InChIKeyXKFKVJRPKBXXOF-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.53
Rot. Bonds5

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 2463210) has the molecular formula C20H19N5OS2 and a molecular weight of 409.54 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID2463210
Molecular FormulaC20H19N5OS2
Molecular Weight409.54 g/mol
Exact Mass409.10
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)n(-c2ccccc2)n1
InChIInChI=1S/C20H19N5OS2/c1-12-9-16(25(24-12)15-7-5-4-6-8-15)23-17(26)10-27-19-18-13(2)14(3)28-20(18)22-11-21-19/h4-9,11H,10H2,1-3H3,(H,23,26)
InChIKeyXKFKVJRPKBXXOF-UHFFFAOYSA-N
XLogP4.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 2463210) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)n(-c2ccccc2)n1.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is XKFKVJRPKBXXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS2/c1-12-9-16(25(24-12)15-7-5-4-6-8-15)23-17(26)10-27-19-18-13(2)14(3)28-20(18)22-11-21-19/h4-9,11H,10H2,1-3H3,(H,23,26).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 409.54 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 2463210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).