N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C11H15N5OS2 — CID 114235252

IUPACN-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCNC(=O)CSc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C11H15N5OS2/c1-3-13-8(17)5-18-9-7-4-6(2)19-10(7)15-11(14-9)16-12/h4H,3,5,12H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyPRMMBBYDCUFJCN-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.51
Rot. Bonds5

About N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 114235252) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID114235252
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC NameN-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCNC(=O)CSc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C11H15N5OS2/c1-3-13-8(17)5-18-9-7-4-6(2)19-10(7)15-11(14-9)16-12/h4H,3,5,12H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyPRMMBBYDCUFJCN-UHFFFAOYSA-N
XLogP1.51
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide
CID 114235259
[6-methyl-4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336591
[6-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336683
(6-methyl-4-pyrazin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336631
N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 103332914
N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103335611
[4-(2,4-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336488
[4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336532
[4-(2,5-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336545
ethyl 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103334493
3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103334672
3-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335156

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 114235252) is N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is CCNC(=O)CSc1nc(NN)nc2sc(C)cc12.
What is the InChIKey of N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is PRMMBBYDCUFJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-3-13-8(17)5-18-9-7-4-6(2)19-10(7)15-11(14-9)16-12/h4H,3,5,12H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 297.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 114235252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).