2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide

C11H14N4OS2 — CID 114231528

IUPAC2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
SMILESCCCNc1nc(SCC(N)=O)c2ccsc2n1
InChIInChI=1S/C11H14N4OS2/c1-2-4-13-11-14-9-7(3-5-17-9)10(15-11)18-6-8(12)16/h3,5H,2,4,6H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyZYCDFONJBXRMRF-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.09
Rot. Bonds6

About 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide

2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide (PubChem CID 114231528) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
PubChem CID114231528
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
SMILESCCCNc1nc(SCC(N)=O)c2ccsc2n1
InChIInChI=1S/C11H14N4OS2/c1-2-4-13-11-14-9-7(3-5-17-9)10(15-11)18-6-8(12)16/h3,5H,2,4,6H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyZYCDFONJBXRMRF-UHFFFAOYSA-N
XLogP2.09
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
tert-butyl 2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103335390
tert-butyl 2-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 103336695
1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide
CID 103331174
4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 106497930
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103334616
N,N-dimethyl-2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103325902
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
N-methyl-4-propylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334188
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide (CID 114231528) is 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide is CCCNc1nc(SCC(N)=O)c2ccsc2n1.
What is the InChIKey of 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is ZYCDFONJBXRMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-2-4-13-11-14-9-7(3-5-17-9)10(15-11)18-6-8(12)16/h3,5H,2,4,6H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide?
2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 282.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 114231528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).