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

C17H18N4OS2 — CID 133308798

IUPACN-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NCc3ccccc3OC3CCC3)c2s1
InChIInChI=1S/C17H18N4OS2/c1-23-17-21-16-14(24-17)15(19-10-20-16)18-9-11-5-2-3-8-13(11)22-12-6-4-7-12/h2-3,5,8,10,12H,4,6-7,9H2,1H3,(H,18,19,20)
InChIKeyLSDLDRZXNMWLGD-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.35
Rot. Bonds6

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

N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133308798) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133308798
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NCc3ccccc3OC3CCC3)c2s1
InChIInChI=1S/C17H18N4OS2/c1-23-17-21-16-14(24-17)15(19-10-20-16)18-9-11-5-2-3-8-13(11)22-12-6-4-7-12/h2-3,5,8,10,12H,4,6-7,9H2,1H3,(H,18,19,20)
InChIKeyLSDLDRZXNMWLGD-UHFFFAOYSA-N
XLogP4.35
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(3-methoxycyclohexyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133399434
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133474775
N-(2-methylpropyl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 156900793
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
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 75443178
N-[2-(3,4-difluorophenoxy)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133291768
N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
CID 39381668
N-[(2-cyclobutyloxyphenyl)methyl]pyrazin-2-amine
CID 133308784
N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133308848

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133308798) is N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(NCc3ccccc3OC3CCC3)c2s1.
What is the InChIKey of N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LSDLDRZXNMWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-23-17-21-16-14(24-17)15(19-10-20-16)18-9-11-5-2-3-8-13(11)22-12-6-4-7-12/h2-3,5,8,10,12H,4,6-7,9H2,1H3,(H,18,19,20).
What are the key properties of N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 358.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyloxyphenyl)methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133308798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).