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

C16H18N6S — CID 56781796

IUPAC4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCc1cc(C)n(C2CN(Cc3csc(-c4ncccn4)n3)C2)n1
InChIInChI=1S/C16H18N6S/c1-11-6-12(2)22(20-11)14-8-21(9-14)7-13-10-23-16(19-13)15-17-4-3-5-18-15/h3-6,10,14H,7-9H2,1-2H3
InChIKeyJYYRTJUIRYHZOQ-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.47
Rot. Bonds4

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

4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 56781796) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID56781796
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCc1cc(C)n(C2CN(Cc3csc(-c4ncccn4)n3)C2)n1
InChIInChI=1S/C16H18N6S/c1-11-6-12(2)22(20-11)14-8-21(9-14)7-13-10-23-16(19-13)15-17-4-3-5-18-15/h3-6,10,14H,7-9H2,1-2H3
InChIKeyJYYRTJUIRYHZOQ-UHFFFAOYSA-N
XLogP2.47
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole with MolForge

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Related Compounds

2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 91831848
(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94380497
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
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 95332203
3,5-dimethyl-1-[1-(2-thiophen-2-ylethyl)azetidin-3-yl]pyrazole
CID 56781747
3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole
CID 77088978
2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 50972341
3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole
CID 56781767
3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 50978885
1-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 56815378

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 56781796) is 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is Cc1cc(C)n(C2CN(Cc3csc(-c4ncccn4)n3)C2)n1.
What is the InChIKey of 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is JYYRTJUIRYHZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11-6-12(2)22(20-11)14-8-21(9-14)7-13-10-23-16(19-13)15-17-4-3-5-18-15/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 56781796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).