1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one

C15H13N3OS2 — CID 51700685

IUPAC1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSc1nc(-c2ccccc2)c2nc(C)sc2n1
InChIInChI=1S/C15H13N3OS2/c1-9(19)8-20-15-17-12(11-6-4-3-5-7-11)13-14(18-15)21-10(2)16-13/h3-7H,8H2,1-2H3
InChIKeyFGLSHJKBERNWAS-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.74
Rot. Bonds4

About 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one

1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one (PubChem CID 51700685) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one
PubChem CID51700685
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSc1nc(-c2ccccc2)c2nc(C)sc2n1
InChIInChI=1S/C15H13N3OS2/c1-9(19)8-20-15-17-12(11-6-4-3-5-7-11)13-14(18-15)21-10(2)16-13/h3-7H,8H2,1-2H3
InChIKeyFGLSHJKBERNWAS-UHFFFAOYSA-N
XLogP3.74
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one?
The IUPAC name of 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one (CID 51700685) is 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one.
What is the SMILES notation for 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one?
The canonical SMILES for 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one is CC(=O)CSc1nc(-c2ccccc2)c2nc(C)sc2n1.
What is the InChIKey of 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one?
The InChIKey is FGLSHJKBERNWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-9(19)8-20-15-17-12(11-6-4-3-5-7-11)13-14(18-15)21-10(2)16-13/h3-7H,8H2,1-2H3.
What are the key properties of 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one?
1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one has a molecular weight of 315.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]propan-2-one is sourced from PubChem (CID 51700685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).