phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone

C22H19N5OS — CID 1461992

IUPACphenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C22H19N5OS/c28-22(17-9-5-2-6-10-17)27-13-11-26(12-14-27)21-20-19(23-15-24-21)18(25-29-20)16-7-3-1-4-8-16/h1-10,15H,11-14H2
InChIKeyIZUVSANDQHEUHP-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.72
Rot. Bonds3

About phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone

phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 1461992) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID1461992
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Namephenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C22H19N5OS/c28-22(17-9-5-2-6-10-17)27-13-11-26(12-14-27)21-20-19(23-15-24-21)18(25-29-20)16-7-3-1-4-8-16/h1-10,15H,11-14H2
InChIKeyIZUVSANDQHEUHP-UHFFFAOYSA-N
XLogP3.72
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 1461992) is phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1.
What is the InChIKey of phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is IZUVSANDQHEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c28-22(17-9-5-2-6-10-17)27-13-11-26(12-14-27)21-20-19(23-15-24-21)18(25-29-20)16-7-3-1-4-8-16/h1-10,15H,11-14H2.
What are the key properties of phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 401.50 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 1461992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).