N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C18H14N6OS — CID 171505132

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1ccc2c(CCNc3nc(-c4cnco4)nc4scnc34)c[nH]c2c1
InChIInChI=1S/C18H14N6OS/c1-2-4-13-12(3-1)11(7-21-13)5-6-20-17-15-18(26-10-22-15)24-16(23-17)14-8-19-9-25-14/h1-4,7-10,21H,5-6H2,(H,20,23,24)
InChIKeyBXPZZKSQXWXCGR-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.88
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 171505132) has the molecular formula C18H14N6OS and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID171505132
Molecular FormulaC18H14N6OS
Molecular Weight362.42 g/mol
Exact Mass362.09
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1ccc2c(CCNc3nc(-c4cnco4)nc4scnc34)c[nH]c2c1
InChIInChI=1S/C18H14N6OS/c1-2-4-13-12(3-1)11(7-21-13)5-6-20-17-15-18(26-10-22-15)24-16(23-17)14-8-19-9-25-14/h1-4,7-10,21H,5-6H2,(H,20,23,24)
InChIKeyBXPZZKSQXWXCGR-UHFFFAOYSA-N
XLogP3.88
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 171505132) is N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is c1ccc2c(CCNc3nc(-c4cnco4)nc4scnc34)c[nH]c2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is BXPZZKSQXWXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS/c1-2-4-13-12(3-1)11(7-21-13)5-6-20-17-15-18(26-10-22-15)24-16(23-17)14-8-19-9-25-14/h1-4,7-10,21H,5-6H2,(H,20,23,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 362.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 171505132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).