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

C12H8Cl2N4S — CID 14505755

IUPAC5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(c1ccccc1)c1nc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C12H8Cl2N4S/c1-18(7-5-3-2-4-6-7)12-17-10-8(19-12)9(13)15-11(14)16-10/h2-6H,1H3
InChIKeyHJKSJZQOXPXXBZ-UHFFFAOYSA-N
MW311.20 g/mol
LogP4.16
Rot. Bonds2

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

5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 14505755) has the molecular formula C12H8Cl2N4S and a molecular weight of 311.20 g/mol. Its IUPAC name is 5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID14505755
Molecular FormulaC12H8Cl2N4S
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(c1ccccc1)c1nc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C12H8Cl2N4S/c1-18(7-5-3-2-4-6-7)12-17-10-8(19-12)9(13)15-11(14)16-10/h2-6H,1H3
InChIKeyHJKSJZQOXPXXBZ-UHFFFAOYSA-N
XLogP4.16
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 14505755) is 5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is CN(c1ccccc1)c1nc2nc(Cl)nc(Cl)c2s1.
What is the InChIKey of 5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is HJKSJZQOXPXXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4S/c1-18(7-5-3-2-4-6-7)12-17-10-8(19-12)9(13)15-11(14)16-10/h2-6H,1H3.
What are the key properties of 5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 311.20 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-methyl-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 14505755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).