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

C13H19N5OS — CID 154583107

IUPAC3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CC(Cn3cc(C)cn3)C2)n1
InChIInChI=1S/C13H19N5OS/c1-10-5-14-18(6-10)9-11-7-17(8-11)13-15-12(16-20-13)3-4-19-2/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyBCAMYZOPPBRCBP-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.37
Rot. Bonds6

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

3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole (PubChem CID 154583107) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole
PubChem CID154583107
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CC(Cn3cc(C)cn3)C2)n1
InChIInChI=1S/C13H19N5OS/c1-10-5-14-18(6-10)9-11-7-17(8-11)13-15-12(16-20-13)3-4-19-2/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyBCAMYZOPPBRCBP-UHFFFAOYSA-N
XLogP1.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole
CID 154575557
4-methoxy-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
CID 154582840
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 165434371
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylazetidine-3-carboxamide
CID 171691207
4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
CID 154582807
3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133372821
(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95283706
4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 171701827
5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133352051
3-(2-methoxyethyl)-5-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609671
2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
CID 133352118
3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95333246

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole (CID 154583107) is 3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole is COCCc1nsc(N2CC(Cn3cc(C)cn3)C2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is BCAMYZOPPBRCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-10-5-14-18(6-10)9-11-7-17(8-11)13-15-12(16-20-13)3-4-19-2/h5-6,11H,3-4,7-9H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole?
3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 293.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 154583107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).