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

C13H15N5OS2 — CID 133312029

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NC(C)c3c(C)noc3C)c2s1
InChIInChI=1S/C13H15N5OS2/c1-6(9-7(2)18-19-8(9)3)16-11-10-12(15-5-14-11)17-13(20-4)21-10/h5-6H,1-4H3,(H,14,15,16)
InChIKeyQGCLNZPCJJKRDC-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.59
Rot. Bonds4

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133312029) has the molecular formula C13H15N5OS2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133312029
Molecular FormulaC13H15N5OS2
Molecular Weight321.43 g/mol
Exact Mass321.07
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NC(C)c3c(C)noc3C)c2s1
InChIInChI=1S/C13H15N5OS2/c1-6(9-7(2)18-19-8(9)3)16-11-10-12(15-5-14-11)17-13(20-4)21-10/h5-6H,1-4H3,(H,14,15,16)
InChIKeyQGCLNZPCJJKRDC-UHFFFAOYSA-N
XLogP3.59
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686571
(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
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80847941
2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133327049
2-methylsulfanyl-N-(4-methylsulfonylbutan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133386861
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]pyrimidin-2-amine
CID 78961774
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133474775
3,5-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762257
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 139355810

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133312029) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(NC(C)c3c(C)noc3C)c2s1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QGCLNZPCJJKRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS2/c1-6(9-7(2)18-19-8(9)3)16-11-10-12(15-5-14-11)17-13(20-4)21-10/h5-6H,1-4H3,(H,14,15,16).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 321.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133312029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).