2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C15H16N6OS — CID 175874273

IUPAC2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCN1CCN(c2nc3nc(-c4ccccn4)[nH]c(=O)c3s2)CC1
InChIInChI=1S/C15H16N6OS/c1-20-6-8-21(9-7-20)15-19-13-11(23-15)14(22)18-12(17-13)10-4-2-3-5-16-10/h2-5H,6-9H2,1H3,(H,17,18,22)
InChIKeyTWTDGGQMYJGUCC-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.19
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 175874273) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID175874273
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCN1CCN(c2nc3nc(-c4ccccn4)[nH]c(=O)c3s2)CC1
InChIInChI=1S/C15H16N6OS/c1-20-6-8-21(9-7-20)15-19-13-11(23-15)14(22)18-12(17-13)10-4-2-3-5-16-10/h2-5H,6-9H2,1H3,(H,17,18,22)
InChIKeyTWTDGGQMYJGUCC-UHFFFAOYSA-N
XLogP1.19
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-5-pyridin-2-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 175891684
4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole
CID 165428070
6-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429593
2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137160812
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429778
7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159869922
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847
2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one
CID 135839351
4-hydroxy-5-propan-2-yl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 63612290
6-methyl-2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888998
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 175874273) is 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is CN1CCN(c2nc3nc(-c4ccccn4)[nH]c(=O)c3s2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is TWTDGGQMYJGUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-20-6-8-21(9-7-20)15-19-13-11(23-15)14(22)18-12(17-13)10-4-2-3-5-16-10/h2-5H,6-9H2,1H3,(H,17,18,22).
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 328.40 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-pyridin-2-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 175874273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).