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

C12H16N4S — CID 91831848

IUPAC2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C)n(C2CN(Cc3nccs3)C2)n1
InChIInChI=1S/C12H16N4S/c1-9-5-10(2)16(14-9)11-6-15(7-11)8-12-13-3-4-17-12/h3-5,11H,6-8H2,1-2H3
InChIKeyXSLYTABJHXOKBO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.01
Rot. Bonds3

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

2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole (PubChem CID 91831848) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
PubChem CID91831848
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C)n(C2CN(Cc3nccs3)C2)n1
InChIInChI=1S/C12H16N4S/c1-9-5-10(2)16(14-9)11-6-15(7-11)8-12-13-3-4-17-12/h3-5,11H,6-8H2,1-2H3
InChIKeyXSLYTABJHXOKBO-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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Related Compounds

4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 56781796
3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole
CID 86775120
1-[4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 74231000
3,5-dimethyl-1-[1-(2-thiophen-2-ylethyl)azetidin-3-yl]pyrazole
CID 56781747
3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole
CID 56781767
2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 99832802
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 56781851
3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole
CID 77088978
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 56781724
3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 50978885
1-[1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-3-yl]-3,5-dimethylpyrazole
CID 77098161
(2R,3aS,6aS)-2-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369160

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole (CID 91831848) is 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole is Cc1cc(C)n(C2CN(Cc3nccs3)C2)n1.
What is the InChIKey of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is XSLYTABJHXOKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-5-10(2)16(14-9)11-6-15(7-11)8-12-13-3-4-17-12/h3-5,11H,6-8H2,1-2H3.
What are the key properties of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
2-[[3-(3,5-dimethylpyrazol-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-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 91831848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).