2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C9H12N4S3 — CID 133391775

IUPAC2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSCCNc1ncnc2nc(SC)sc12
InChIInChI=1S/C9H12N4S3/c1-14-4-3-10-7-6-8(12-5-11-7)13-9(15-2)16-6/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyOATJBSOHODJXCR-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.58
Rot. Bonds5

About 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133391775) has the molecular formula C9H12N4S3 and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133391775
Molecular FormulaC9H12N4S3
Molecular Weight272.42 g/mol
Exact Mass272.02
IUPAC Name2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSCCNc1ncnc2nc(SC)sc12
InChIInChI=1S/C9H12N4S3/c1-14-4-3-10-7-6-8(12-5-11-7)13-9(15-2)16-6/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyOATJBSOHODJXCR-UHFFFAOYSA-N
XLogP2.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 156900793
2,2-dimethyl-N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]propanamide
CID 133326859
methyl 3-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanoate
CID 133425064
N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305779
4-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]benzene-1,2-diol
CID 133428928
N-[2-(3,4-difluorophenoxy)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133291768
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133474775
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 139355810
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 166238015
(2S)-2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanoic acid
CID 122049448
2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133386861
N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133308798

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133391775) is 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSCCNc1ncnc2nc(SC)sc12.
What is the InChIKey of 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is OATJBSOHODJXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S3/c1-14-4-3-10-7-6-8(12-5-11-7)13-9(15-2)16-6/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 272.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133391775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).