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

C13H10N4OS — CID 46219660

IUPAC2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole
SMILESCc1nc(C#CCOc2ccn3nccc3n2)cs1
InChIInChI=1S/C13H10N4OS/c1-10-15-11(9-19-10)3-2-8-18-13-5-7-17-12(16-13)4-6-14-17/h4-7,9H,8H2,1H3
InChIKeyACXLGNSYULCOQG-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.92
Rot. Bonds2

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

2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole (PubChem CID 46219660) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole
PubChem CID46219660
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole
SMILESCc1nc(C#CCOc2ccn3nccc3n2)cs1
InChIInChI=1S/C13H10N4OS/c1-10-15-11(9-19-10)3-2-8-18-13-5-7-17-12(16-13)4-6-14-17/h4-7,9H,8H2,1H3
InChIKeyACXLGNSYULCOQG-UHFFFAOYSA-N
XLogP1.92
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole
CID 46219024
5-[3-[6-(fluoromethyl)-2-pyridinyl]prop-2-ynoxy]-2-methylpyrazolo[1,5-a]pyrimidine
CID 46219659
5-[4-(1-methylpyrazol-3-yl)but-3-ynyl]pyrazolo[1,5-a]pyrimidine
CID 46219025
2-methyl-4-[2-(6-methyl-2-pyridinyl)ethynyl]-1,3-thiazole
CID 67030887
2-(fluoromethyl)-4-[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)but-1-ynyl]-1,3-thiazole
CID 68607179
5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 171704384
2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118311
4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid
CID 113296835
2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
CID 114243521
5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372263
(2-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanol
CID 107713486
2-methyl-4-[2-(1,3-thiazol-4-yl)ethynyl]-1,3-thiazole
CID 70088513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole (CID 46219660) is 2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole is Cc1nc(C#CCOc2ccn3nccc3n2)cs1.
What is the InChIKey of 2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole?
The InChIKey is ACXLGNSYULCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-10-15-11(9-19-10)3-2-8-18-13-5-7-17-12(16-13)4-6-14-17/h4-7,9H,8H2,1H3.
What are the key properties of 2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole?
2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole has a molecular weight of 270.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole is sourced from PubChem (CID 46219660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).