N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C15H16N4OS — CID 58338058

IUPACN-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2ncnc3scnc23)cc1C
InChIInChI=1S/C15H16N4OS/c1-10-7-11(3-4-12(10)20-2)5-6-16-14-13-15(18-8-17-14)21-9-19-13/h3-4,7-9H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyBYVMWBDSMJVTTK-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.06
Rot. Bonds5

About N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 58338058) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID58338058
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2ncnc3scnc23)cc1C
InChIInChI=1S/C15H16N4OS/c1-10-7-11(3-4-12(10)20-2)5-6-16-14-13-15(18-8-17-14)21-9-19-13/h3-4,7-9H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyBYVMWBDSMJVTTK-UHFFFAOYSA-N
XLogP3.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine with MolForge

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Related Compounds

N-[2-[3-methoxy-4-[1-oxido-4-(trifluoromethyl)pyridin-1-ium-2-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338034
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338071
5-ethyl-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyrimidin-2-amine
CID 59643398
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174262
2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
CID 58338043
2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
CID 133423878
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol
CID 131026666
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 58174107

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 58338058) is N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COc1ccc(CCNc2ncnc3scnc23)cc1C.
What is the InChIKey of N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is BYVMWBDSMJVTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-7-11(3-4-12(10)20-2)5-6-16-14-13-15(18-8-17-14)21-9-19-13/h3-4,7-9H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 300.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 58338058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).