N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C15H19N3OS2 — CID 862674

IUPACN-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1sc2ncnc(SCC(=O)NC3CCCC3)c2c1C
InChIInChI=1S/C15H19N3OS2/c1-9-10(2)21-15-13(9)14(16-8-17-15)20-7-12(19)18-11-5-3-4-6-11/h8,11H,3-7H2,1-2H3,(H,18,19)
InChIKeyJCNUGVNRSFSAQC-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.46
Rot. Bonds4

About N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 862674) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID862674
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1sc2ncnc(SCC(=O)NC3CCCC3)c2c1C
InChIInChI=1S/C15H19N3OS2/c1-9-10(2)21-15-13(9)14(16-8-17-15)20-7-12(19)18-11-5-3-4-6-11/h8,11H,3-7H2,1-2H3,(H,18,19)
InChIKeyJCNUGVNRSFSAQC-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 862674) is N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1sc2ncnc(SCC(=O)NC3CCCC3)c2c1C.
What is the InChIKey of N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is JCNUGVNRSFSAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-9-10(2)21-15-13(9)14(16-8-17-15)20-7-12(19)18-11-5-3-4-6-11/h8,11H,3-7H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 321.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 862674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).