3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine

C15H22N4OS — CID 138039322

IUPAC3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine
SMILESCc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
InChIInChI=1S/C15H22N4OS/c1-10-15(14-8-20-6-5-18(14)4)11(2)19(17-10)7-13-9-21-12(3)16-13/h9,14H,5-8H2,1-4H3
InChIKeyVNJQTNFCUVJHHQ-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.32
Rot. Bonds3

About 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine

3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine (PubChem CID 138039322) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine
PubChem CID138039322
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine
SMILESCc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1
InChIInChI=1S/C15H22N4OS/c1-10-15(14-8-20-6-5-18(14)4)11(2)19(17-10)7-13-9-21-12(3)16-13/h9,14H,5-8H2,1-4H3
InChIKeyVNJQTNFCUVJHHQ-UHFFFAOYSA-N
XLogP2.32
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine?
The IUPAC name of 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine (CID 138039322) is 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine.
What is the SMILES notation for 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine?
The canonical SMILES for 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine is Cc1nc(Cn2nc(C)c(C3COCCN3C)c2C)cs1.
What is the InChIKey of 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine?
The InChIKey is VNJQTNFCUVJHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-15(14-8-20-6-5-18(14)4)11(2)19(17-10)7-13-9-21-12(3)16-13/h9,14H,5-8H2,1-4H3.
What are the key properties of 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine?
3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine has a molecular weight of 306.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine is sourced from PubChem (CID 138039322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).