2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

C15H16N6OS — CID 171702430

IUPAC2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCOc1cnc(N2CCN(c3nc4cnccc4s3)CC2)nc1
InChIInChI=1S/C15H16N6OS/c1-22-11-8-17-14(18-9-11)20-4-6-21(7-5-20)15-19-12-10-16-3-2-13(12)23-15/h2-3,8-10H,4-7H2,1H3
InChIKeyHCGQPTWMYJUEKL-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.82
Rot. Bonds3

About 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 171702430) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID171702430
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCOc1cnc(N2CCN(c3nc4cnccc4s3)CC2)nc1
InChIInChI=1S/C15H16N6OS/c1-22-11-8-17-14(18-9-11)20-4-6-21(7-5-20)15-19-12-10-16-3-2-13(12)23-15/h2-3,8-10H,4-7H2,1H3
InChIKeyHCGQPTWMYJUEKL-UHFFFAOYSA-N
XLogP1.82
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154583457
2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 166601649
1-(5-methoxypyrimidin-2-yl)-4-(3-methyl-4-pyridinyl)-1,4-diazepane
CID 70726809
2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154853618
2-(azetidin-1-yl)-5-methoxypyrimidine
CID 163343627
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154882869
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154830114
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 166605628
2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 163357343
4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 171702458
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435144
2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 171334806

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 171702430) is 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is COc1cnc(N2CCN(c3nc4cnccc4s3)CC2)nc1.
What is the InChIKey of 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is HCGQPTWMYJUEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-22-11-8-17-14(18-9-11)20-4-6-21(7-5-20)15-19-12-10-16-3-2-13(12)23-15/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 328.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 171702430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).