4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine

C15H21N7OS — CID 146078224

IUPAC4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1nnc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)s1
InChIInChI=1S/C15H21N7OS/c1-12-18-19-15(24-12)22-6-4-20(5-7-22)13-2-3-16-14(17-13)21-8-10-23-11-9-21/h2-3H,4-11H2,1H3
InChIKeyLHBBWCVSFMBOBP-UHFFFAOYSA-N
MW347.45 g/mol
LogP0.80
Rot. Bonds3

About 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 146078224) has the molecular formula C15H21N7OS and a molecular weight of 347.45 g/mol. Its IUPAC name is 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID146078224
Molecular FormulaC15H21N7OS
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC Name4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1nnc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)s1
InChIInChI=1S/C15H21N7OS/c1-12-18-19-15(24-12)22-6-4-20(5-7-22)13-2-3-16-14(17-13)21-8-10-23-11-9-21/h2-3H,4-11H2,1H3
InChIKeyLHBBWCVSFMBOBP-UHFFFAOYSA-N
XLogP0.80
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 58663759
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074635
4-[6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 146079475
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-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-ethyl-1-(2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
CID 136530757
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 146078224) is 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine is Cc1nnc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)s1.
What is the InChIKey of 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is LHBBWCVSFMBOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7OS/c1-12-18-19-15(24-12)22-6-4-20(5-7-22)13-2-3-16-14(17-13)21-8-10-23-11-9-21/h2-3H,4-11H2,1H3.
What are the key properties of 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 347.45 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 146078224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).