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

C11H16N4O2S3 — CID 133386861

IUPAC2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NC(C)CCS(C)(=O)=O)c2s1
InChIInChI=1S/C11H16N4O2S3/c1-7(4-5-20(3,16)17)14-9-8-10(13-6-12-9)15-11(18-2)19-8/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyUMWXSJIBPRSMRL-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.04
Rot. Bonds6

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

2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133386861) has the molecular formula C11H16N4O2S3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133386861
Molecular FormulaC11H16N4O2S3
Molecular Weight332.48 g/mol
Exact Mass332.04
IUPAC Name2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NC(C)CCS(C)(=O)=O)c2s1
InChIInChI=1S/C11H16N4O2S3/c1-7(4-5-20(3,16)17)14-9-8-10(13-6-12-9)15-11(18-2)19-8/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyUMWXSJIBPRSMRL-UHFFFAOYSA-N
XLogP2.04
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine with MolForge

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Related Compounds

(2S)-2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanoic acid
CID 122049448
N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 156900793
2-methylsulfanyl-N-(2-methylsulfanylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133391775
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133312029
N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386758
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133474775
2,2-dimethyl-N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]propanamide
CID 133326859
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 139355810
2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133327049
5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386780
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

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133386861) is 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(NC(C)CCS(C)(=O)=O)c2s1.
What is the InChIKey of 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UMWXSJIBPRSMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S3/c1-7(4-5-20(3,16)17)14-9-8-10(13-6-12-9)15-11(18-2)19-8/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 332.48 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133386861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).