2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole

C15H17N5OS — CID 163356995

IUPAC2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole
SMILESc1csc(OCC2CCCN(c3ccn4nccc4n3)C2)n1
InChIInChI=1S/C15H17N5OS/c1-2-12(11-21-15-16-6-9-22-15)10-19(7-1)13-4-8-20-14(18-13)3-5-17-20/h3-6,8-9,12H,1-2,7,10-11H2
InChIKeyTZXQHYBNTIWUFI-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.48
Rot. Bonds4

About 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole

2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole (PubChem CID 163356995) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole
PubChem CID163356995
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole
SMILESc1csc(OCC2CCCN(c3ccn4nccc4n3)C2)n1
InChIInChI=1S/C15H17N5OS/c1-2-12(11-21-15-16-6-9-22-15)10-19(7-1)13-4-8-20-14(18-13)3-5-17-20/h3-6,8-9,12H,1-2,7,10-11H2
InChIKeyTZXQHYBNTIWUFI-UHFFFAOYSA-N
XLogP2.48
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole
CID 163357902
3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 165432822
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 171704384
2-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]acetamide
CID 163357599
2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165434930
4-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine
CID 115372770
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942593
2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid
CID 115372075
5-[4-[(5-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155799047
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 171996306

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole?
The IUPAC name of 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole (CID 163356995) is 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole.
What is the SMILES notation for 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole?
The canonical SMILES for 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole is c1csc(OCC2CCCN(c3ccn4nccc4n3)C2)n1.
What is the InChIKey of 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole?
The InChIKey is TZXQHYBNTIWUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-2-12(11-21-15-16-6-9-22-15)10-19(7-1)13-4-8-20-14(18-13)3-5-17-20/h3-6,8-9,12H,1-2,7,10-11H2.
What are the key properties of 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole?
2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole has a molecular weight of 315.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole is sourced from PubChem (CID 163356995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).