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

C15H17ClN4S — CID 59646461

IUPACN-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESClc1ncnc2sc(NC3C4CC5CC(C4)CC3C5)nc12
InChIInChI=1S/C15H17ClN4S/c16-13-12-14(18-6-17-13)21-15(20-12)19-11-9-2-7-1-8(4-9)5-10(11)3-7/h6-11H,1-5H2,(H,19,20)
InChIKeyVSFFCXQORCDUAW-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.98
Rot. Bonds2

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

N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 59646461) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID59646461
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC NameN-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESClc1ncnc2sc(NC3C4CC5CC(C4)CC3C5)nc12
InChIInChI=1S/C15H17ClN4S/c16-13-12-14(18-6-17-13)21-15(20-12)19-11-9-2-7-1-8(4-9)5-10(11)3-7/h6-11H,1-5H2,(H,19,20)
InChIKeyVSFFCXQORCDUAW-UHFFFAOYSA-N
XLogP3.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 59646461) is N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is Clc1ncnc2sc(NC3C4CC5CC(C4)CC3C5)nc12.
What is the InChIKey of N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is VSFFCXQORCDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c16-13-12-14(18-6-17-13)21-15(20-12)19-11-9-2-7-1-8(4-9)5-10(11)3-7/h6-11H,1-5H2,(H,19,20).
What are the key properties of N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 320.85 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 59646461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).