2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C14H15N5S — CID 146662578

IUPAC2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNCCc1nc2c(NCc3ccccc3)ncnc2s1
InChIInChI=1S/C14H15N5S/c15-7-6-11-19-12-13(17-9-18-14(12)20-11)16-8-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2,(H,16,17,18)
InChIKeyDDSOEDRPDHLATI-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.20
Rot. Bonds5

About 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 146662578) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID146662578
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNCCc1nc2c(NCc3ccccc3)ncnc2s1
InChIInChI=1S/C14H15N5S/c15-7-6-11-19-12-13(17-9-18-14(12)20-11)16-8-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2,(H,16,17,18)
InChIKeyDDSOEDRPDHLATI-UHFFFAOYSA-N
XLogP2.20
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 146662578) is 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is NCCc1nc2c(NCc3ccccc3)ncnc2s1.
What is the InChIKey of 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is DDSOEDRPDHLATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c15-7-6-11-19-12-13(17-9-18-14(12)20-11)16-8-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2,(H,16,17,18).
What are the key properties of 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 285.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 146662578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).