7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

C14H14N4S2 — CID 66758805

IUPAC7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCSc1nc(N)nc2sc(CCc3ccccc3)nc12
InChIInChI=1S/C14H14N4S2/c1-19-12-11-13(18-14(15)17-12)20-10(16-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,15,17,18)
InChIKeyPDTXWPHNZWMTOW-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.18
Rot. Bonds4

About 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 66758805) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID66758805
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCSc1nc(N)nc2sc(CCc3ccccc3)nc12
InChIInChI=1S/C14H14N4S2/c1-19-12-11-13(18-14(15)17-12)20-10(16-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,15,17,18)
InChIKeyPDTXWPHNZWMTOW-UHFFFAOYSA-N
XLogP3.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 66758805) is 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is CSc1nc(N)nc2sc(CCc3ccccc3)nc12.
What is the InChIKey of 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is PDTXWPHNZWMTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-19-12-11-13(18-14(15)17-12)20-10(16-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,15,17,18).
What are the key properties of 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 302.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 66758805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).