2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole

C15H15N7S — CID 163351978

IUPAC2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2ccnc(N3CCN(c4nncs4)CC3)n2)nc1
InChIInChI=1S/C15H15N7S/c1-2-5-16-12(3-1)13-4-6-17-14(19-13)21-7-9-22(10-8-21)15-20-18-11-23-15/h1-6,11H,7-10H2
InChIKeyAPCCKCFBKMXIBJ-UHFFFAOYSA-N
MW325.40 g/mol
LogP1.72
Rot. Bonds3

About 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole

2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 163351978) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID163351978
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2ccnc(N3CCN(c4nncs4)CC3)n2)nc1
InChIInChI=1S/C15H15N7S/c1-2-5-16-12(3-1)13-4-6-17-14(19-13)21-7-9-22(10-8-21)15-20-18-11-23-15/h1-6,11H,7-10H2
InChIKeyAPCCKCFBKMXIBJ-UHFFFAOYSA-N
XLogP1.72
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-pyridin-2-ylpyrimidine
CID 72890172
4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 163352081
(3R,4S)-4-[4-(4-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]oxolan-3-ol
CID 74236984
pyridin-2-yl-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]methanol
CID 72918650
[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278821
4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 97456778
1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole
CID 66493686
pyrrolo[3,2-b]azepine
CID 66934182
3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 74243204
(3S,4S)-4-(4-methylpiperazin-1-yl)-1-(4-pyridin-2-ylpyrimidin-2-yl)pyrrolidin-3-ol
CID 74240047
4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
CID 68936225
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole (CID 163351978) is 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole is c1ccc(-c2ccnc(N3CCN(c4nncs4)CC3)n2)nc1.
What is the InChIKey of 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is APCCKCFBKMXIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-2-5-16-12(3-1)13-4-6-17-14(19-13)21-7-9-22(10-8-21)15-20-18-11-23-15/h1-6,11H,7-10H2.
What are the key properties of 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole?
2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 325.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 163351978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).