2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole

C12H16N4S — CID 56780795

IUPAC2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnn(C2CN(Cc3cnc(C)s3)C2)c1
InChIInChI=1S/C12H16N4S/c1-9-3-14-16(5-9)11-6-15(7-11)8-12-4-13-10(2)17-12/h3-5,11H,6-8H2,1-2H3
InChIKeyUENNMIJCHPZRCB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.01
Rot. Bonds3

About 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole

2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole (PubChem CID 56780795) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
PubChem CID56780795
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnn(C2CN(Cc3cnc(C)s3)C2)c1
InChIInChI=1S/C12H16N4S/c1-9-3-14-16(5-9)11-6-15(7-11)8-12-4-13-10(2)17-12/h3-5,11H,6-8H2,1-2H3
InChIKeyUENNMIJCHPZRCB-UHFFFAOYSA-N
XLogP2.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole (CID 56780795) is 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole is Cc1cnn(C2CN(Cc3cnc(C)s3)C2)c1.
What is the InChIKey of 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UENNMIJCHPZRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-3-14-16(5-9)11-6-15(7-11)8-12-4-13-10(2)17-12/h3-5,11H,6-8H2,1-2H3.
What are the key properties of 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 248.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56780795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).