2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole

C16H19N5S — CID 110118311

IUPAC2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(CN2CCCCC2c2ccn3nccc3n2)cs1
InChIInChI=1S/C16H19N5S/c1-12-18-13(11-22-12)10-20-8-3-2-4-15(20)14-6-9-21-16(19-14)5-7-17-21/h5-7,9,11,15H,2-4,8,10H2,1H3
InChIKeyNOVLXJJFUIUUMI-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.22
Rot. Bonds3

About 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole

2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 110118311) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID110118311
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(CN2CCCCC2c2ccn3nccc3n2)cs1
InChIInChI=1S/C16H19N5S/c1-12-18-13(11-22-12)10-20-8-3-2-4-15(20)14-6-9-21-16(19-14)5-7-17-21/h5-7,9,11,15H,2-4,8,10H2,1H3
InChIKeyNOVLXJJFUIUUMI-UHFFFAOYSA-N
XLogP3.22
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125004350
5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124999522
5-[1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 110118323
5-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 125014658
2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125130491
N,N-dimethyl-6-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 124976389
2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244795
N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124946273
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124958167
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole (CID 110118311) is 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole is Cc1nc(CN2CCCCC2c2ccn3nccc3n2)cs1.
What is the InChIKey of 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is NOVLXJJFUIUUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-12-18-13(11-22-12)10-20-8-3-2-4-15(20)14-6-9-21-16(19-14)5-7-17-21/h5-7,9,11,15H,2-4,8,10H2,1H3.
What are the key properties of 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole?
2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 313.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 110118311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).