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

C15H14BrN5S — CID 127043818

IUPACN-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESBrc1cccc(Nc2nc3c(N4CCCC4)ncnc3s2)c1
InChIInChI=1S/C15H14BrN5S/c16-10-4-3-5-11(8-10)19-15-20-12-13(21-6-1-2-7-21)17-9-18-14(12)22-15/h3-5,8-9H,1-2,6-7H2,(H,19,20)
InChIKeyYQTYPSIBGJUFHX-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.19
Rot. Bonds3

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

N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 127043818) has the molecular formula C15H14BrN5S and a molecular weight of 376.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID127043818
Molecular FormulaC15H14BrN5S
Molecular Weight376.28 g/mol
Exact Mass375.02
IUPAC NameN-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESBrc1cccc(Nc2nc3c(N4CCCC4)ncnc3s2)c1
InChIInChI=1S/C15H14BrN5S/c16-10-4-3-5-11(8-10)19-15-20-12-13(21-6-1-2-7-21)17-9-18-14(12)22-15/h3-5,8-9H,1-2,6-7H2,(H,19,20)
InChIKeyYQTYPSIBGJUFHX-UHFFFAOYSA-N
XLogP4.19
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 127043818) is N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is Brc1cccc(Nc2nc3c(N4CCCC4)ncnc3s2)c1.
What is the InChIKey of N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is YQTYPSIBGJUFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5S/c16-10-4-3-5-11(8-10)19-15-20-12-13(21-6-1-2-7-21)17-9-18-14(12)22-15/h3-5,8-9H,1-2,6-7H2,(H,19,20).
What are the key properties of N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 376.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 127043818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).