2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

C10H10N4O2S3 — CID 143295066

IUPAC2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCSc1nc(SCC(N)=O)nc2sc(C=O)c(N)c12
InChIInChI=1S/C10H10N4O2S3/c1-17-8-6-7(12)4(2-15)19-9(6)14-10(13-8)18-3-5(11)16/h2H,3,12H2,1H3,(H2,11,16)
InChIKeyRLGJTYSFWBRCFW-UHFFFAOYSA-N
MW314.42 g/mol
LogP1.39
Rot. Bonds5

About 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 143295066) has the molecular formula C10H10N4O2S3 and a molecular weight of 314.42 g/mol. Its IUPAC name is 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID143295066
Molecular FormulaC10H10N4O2S3
Molecular Weight314.42 g/mol
Exact Mass314.00
IUPAC Name2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCSc1nc(SCC(N)=O)nc2sc(C=O)c(N)c12
InChIInChI=1S/C10H10N4O2S3/c1-17-8-6-7(12)4(2-15)19-9(6)14-10(13-8)18-3-5(11)16/h2H,3,12H2,1H3,(H2,11,16)
InChIKeyRLGJTYSFWBRCFW-UHFFFAOYSA-N
XLogP1.39
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-amino-8-propyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carbaldehyde
CID 166975756
2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 51700690
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane
CID 143185664
2-[[4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]acetamide
CID 3985784
4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butan-2-one
CID 7570252
2-[[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9375739
4-amino-2-(2-amino-2-oxoethyl)sulfanyl-1,3-thiazole-5-carboxamide
CID 53353019
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 799700
2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide
CID 23064488
2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide
CID 156905309
5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 650599
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43058571

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 143295066) is 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is CSc1nc(SCC(N)=O)nc2sc(C=O)c(N)c12.
What is the InChIKey of 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is RLGJTYSFWBRCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S3/c1-17-8-6-7(12)4(2-15)19-9(6)14-10(13-8)18-3-5(11)16/h2H,3,12H2,1H3,(H2,11,16).
What are the key properties of 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 314.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 143295066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).