N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C15H19N3OS2 — CID 3690052

IUPACN-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncnc2sccc12)C1CCCCC1
InChIInChI=1S/C15H19N3OS2/c1-18(11-5-3-2-4-6-11)13(19)9-21-15-12-7-8-20-14(12)16-10-17-15/h7-8,10-11H,2-6,9H2,1H3
InChIKeyWTDAAUBEIQYWAR-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.57
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 3690052) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID3690052
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncnc2sccc12)C1CCCCC1
InChIInChI=1S/C15H19N3OS2/c1-18(11-5-3-2-4-6-11)13(19)9-21-15-12-7-8-20-14(12)16-10-17-15/h7-8,10-11H,2-6,9H2,1H3
InChIKeyWTDAAUBEIQYWAR-UHFFFAOYSA-N
XLogP3.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 3690052) is N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is CN(C(=O)CSc1ncnc2sccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is WTDAAUBEIQYWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-18(11-5-3-2-4-6-11)13(19)9-21-15-12-7-8-20-14(12)16-10-17-15/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 321.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 3690052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).