7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C18H15N5S — CID 11652884

IUPAC7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCN(c1ccccc1)c1ncnc2sc(Nc3ccccc3)nc12
InChIInChI=1S/C18H15N5S/c1-23(14-10-6-3-7-11-14)16-15-17(20-12-19-16)24-18(22-15)21-13-8-4-2-5-9-13/h2-12H,1H3,(H,21,22)
InChIKeyMPRWFWZUWRETPQ-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.60
Rot. Bonds4

About 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 11652884) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID11652884
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC Name7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCN(c1ccccc1)c1ncnc2sc(Nc3ccccc3)nc12
InChIInChI=1S/C18H15N5S/c1-23(14-10-6-3-7-11-14)16-15-17(20-12-19-16)24-18(22-15)21-13-8-4-2-5-9-13/h2-12H,1H3,(H,21,22)
InChIKeyMPRWFWZUWRETPQ-UHFFFAOYSA-N
XLogP4.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 11652884) is 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is CN(c1ccccc1)c1ncnc2sc(Nc3ccccc3)nc12.
What is the InChIKey of 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is MPRWFWZUWRETPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-23(14-10-6-3-7-11-14)16-15-17(20-12-19-16)24-18(22-15)21-13-8-4-2-5-9-13/h2-12H,1H3,(H,21,22).
What are the key properties of 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 333.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 11652884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).