N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine

C15H22N4S — CID 166944361

IUPACN-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine
SMILESC=C(NC(CCC)CCC)c1nc2c(C)ncnc2s1
InChIInChI=1S/C15H22N4S/c1-5-7-12(8-6-2)18-11(4)14-19-13-10(3)16-9-17-15(13)20-14/h9,12,18H,4-8H2,1-3H3
InChIKeyKNUDFSHAZLXCCR-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.92
Rot. Bonds7

About N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine

N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine (PubChem CID 166944361) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine.

Molecular Properties

Compound NameN-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine
PubChem CID166944361
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine
SMILESC=C(NC(CCC)CCC)c1nc2c(C)ncnc2s1
InChIInChI=1S/C15H22N4S/c1-5-7-12(8-6-2)18-11(4)14-19-13-10(3)16-9-17-15(13)20-14/h9,12,18H,4-8H2,1-3H3
InChIKeyKNUDFSHAZLXCCR-UHFFFAOYSA-N
XLogP3.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine?
The IUPAC name of N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine (CID 166944361) is N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine.
What is the SMILES notation for N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine?
The canonical SMILES for N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine is C=C(NC(CCC)CCC)c1nc2c(C)ncnc2s1.
What is the InChIKey of N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine?
The InChIKey is KNUDFSHAZLXCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-7-12(8-6-2)18-11(4)14-19-13-10(3)16-9-17-15(13)20-14/h9,12,18H,4-8H2,1-3H3.
What are the key properties of N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine?
N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine has a molecular weight of 290.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)ethenyl]heptan-4-amine is sourced from PubChem (CID 166944361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).