2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole

C15H19N5OS — CID 134160609

IUPAC2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESc1nc(OCC2CCN(c3nncs3)CC2)cc(C2CC2)n1
InChIInChI=1S/C15H19N5OS/c1-2-12(1)13-7-14(17-9-16-13)21-8-11-3-5-20(6-4-11)15-19-18-10-22-15/h7,9-12H,1-6,8H2
InChIKeySAYXPTZDTZSJRQ-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.50
Rot. Bonds5

About 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole

2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 134160609) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID134160609
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESc1nc(OCC2CCN(c3nncs3)CC2)cc(C2CC2)n1
InChIInChI=1S/C15H19N5OS/c1-2-12(1)13-7-14(17-9-16-13)21-8-11-3-5-20(6-4-11)15-19-18-10-22-15/h7,9-12H,1-6,8H2
InChIKeySAYXPTZDTZSJRQ-UHFFFAOYSA-N
XLogP2.50
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 134160931
2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 126873080
6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 134161453
[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 134160986
6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 134161454
2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 169304025
[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 134161159
4-cyclobutyl-6-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]pyrimidine
CID 134161388
6-pyridin-4-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942838
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-cyclopropylpyrimidine
CID 154829517
2-(3-benzylpyrrolidin-1-yl)-1,3,4-thiadiazole
CID 167745767
2-[9-(cyclopropylmethoxy)-3-azabicyclo[3.3.1]nonan-3-yl]-1,3,4-thiadiazole
CID 131649067

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 134160609) is 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is c1nc(OCC2CCN(c3nncs3)CC2)cc(C2CC2)n1.
What is the InChIKey of 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is SAYXPTZDTZSJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-12(1)13-7-14(17-9-16-13)21-8-11-3-5-20(6-4-11)15-19-18-10-22-15/h7,9-12H,1-6,8H2.
What are the key properties of 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 317.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 134160609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).