N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C15H15N5S — CID 127044681

IUPACN-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESc1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1
InChIInChI=1S/C15H15N5S/c1-2-6-11(7-3-1)18-15-19-12-13(20-8-4-5-9-20)16-10-17-14(12)21-15/h1-3,6-7,10H,4-5,8-9H2,(H,18,19)
InChIKeySEONSDFSIHPWGR-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.43
Rot. Bonds3

About N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 127044681) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID127044681
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC NameN-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESc1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1
InChIInChI=1S/C15H15N5S/c1-2-6-11(7-3-1)18-15-19-12-13(20-8-4-5-9-20)16-10-17-14(12)21-15/h1-3,6-7,10H,4-5,8-9H2,(H,18,19)
InChIKeySEONSDFSIHPWGR-UHFFFAOYSA-N
XLogP3.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 127044681) is N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is c1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1.
What is the InChIKey of N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is SEONSDFSIHPWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-2-6-11(7-3-1)18-15-19-12-13(20-8-4-5-9-20)16-10-17-14(12)21-15/h1-3,6-7,10H,4-5,8-9H2,(H,18,19).
What are the key properties of N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 127044681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).