2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide

C11H11N3OS2 — CID 107548612

IUPAC2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide
SMILESNC(=S)c1ccnc(OCCc2cccs2)n1
InChIInChI=1S/C11H11N3OS2/c12-10(16)9-3-5-13-11(14-9)15-6-4-8-2-1-7-17-8/h1-3,5,7H,4,6H2,(H2,12,16)
InChIKeyCZOKOSSRXFFCAM-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide

2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide (PubChem CID 107548612) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide
PubChem CID107548612
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide
SMILESNC(=S)c1ccnc(OCCc2cccs2)n1
InChIInChI=1S/C11H11N3OS2/c12-10(16)9-3-5-13-11(14-9)15-6-4-8-2-1-7-17-8/h1-3,5,7H,4,6H2,(H2,12,16)
InChIKeyCZOKOSSRXFFCAM-UHFFFAOYSA-N
XLogP1.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547721
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide
CID 55235923
2-thiophen-2-ylethoxysilane
CID 154346669
2-[2-(hydroxymethyl)phenoxy]pyrimidine-4-carbothioamide
CID 107548640
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 64589255
2-(4-propylphenoxy)pyrimidine-4-carbothioamide
CID 107548625
2-(2-bromophenoxy)pyrimidine-4-carbothioamide
CID 107548482
N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide
CID 136907230
2-[3-(hydroxymethyl)phenoxy]pyrimidine-4-carbothioamide
CID 107548615
2-(3-ethoxyphenoxy)pyrimidine-4-carbothioamide
CID 107548622

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide?
The IUPAC name of 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide (CID 107548612) is 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide?
The canonical SMILES for 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide is NC(=S)c1ccnc(OCCc2cccs2)n1.
What is the InChIKey of 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide?
The InChIKey is CZOKOSSRXFFCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c12-10(16)9-3-5-13-11(14-9)15-6-4-8-2-1-7-17-8/h1-3,5,7H,4,6H2,(H2,12,16).
What are the key properties of 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide?
2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide has a molecular weight of 265.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethoxy)pyrimidine-4-carbothioamide is sourced from PubChem (CID 107548612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).