5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C14H12Cl2N4OS — CID 168887663

IUPAC5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCOc1ccc(CN(C)c2nc3nc(Cl)nc(Cl)c3s2)cc1
InChIInChI=1S/C14H12Cl2N4OS/c1-20(7-8-3-5-9(21-2)6-4-8)14-19-12-10(22-14)11(15)17-13(16)18-12/h3-6H,7H2,1-2H3
InChIKeyQLZZKCWJLQPEPL-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.04
Rot. Bonds4

About 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 168887663) has the molecular formula C14H12Cl2N4OS and a molecular weight of 355.25 g/mol. Its IUPAC name is 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID168887663
Molecular FormulaC14H12Cl2N4OS
Molecular Weight355.25 g/mol
Exact Mass354.01
IUPAC Name5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCOc1ccc(CN(C)c2nc3nc(Cl)nc(Cl)c3s2)cc1
InChIInChI=1S/C14H12Cl2N4OS/c1-20(7-8-3-5-9(21-2)6-4-8)14-19-12-10(22-14)11(15)17-13(16)18-12/h3-6H,7H2,1-2H3
InChIKeyQLZZKCWJLQPEPL-UHFFFAOYSA-N
XLogP4.04
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 168887663) is 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is COc1ccc(CN(C)c2nc3nc(Cl)nc(Cl)c3s2)cc1.
What is the InChIKey of 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is QLZZKCWJLQPEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4OS/c1-20(7-8-3-5-9(21-2)6-4-8)14-19-12-10(22-14)11(15)17-13(16)18-12/h3-6H,7H2,1-2H3.
What are the key properties of 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 355.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 168887663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).