4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine

C15H22N4OS — CID 75471321

IUPAC4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
SMILESCc1ncc(CN2CCOCC2c2c(C)nn(C)c2C)s1
InChIInChI=1S/C15H22N4OS/c1-10-15(11(2)18(4)17-10)14-9-20-6-5-19(14)8-13-7-16-12(3)21-13/h7,14H,5-6,8-9H2,1-4H3
InChIKeyPLRLBADMYSOZHQ-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.38
Rot. Bonds3

About 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine

4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine (PubChem CID 75471321) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
PubChem CID75471321
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
SMILESCc1ncc(CN2CCOCC2c2c(C)nn(C)c2C)s1
InChIInChI=1S/C15H22N4OS/c1-10-15(11(2)18(4)17-10)14-9-20-6-5-19(14)8-13-7-16-12(3)21-13/h7,14H,5-6,8-9H2,1-4H3
InChIKeyPLRLBADMYSOZHQ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine (CID 75471321) is 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine is Cc1ncc(CN2CCOCC2c2c(C)nn(C)c2C)s1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine?
The InChIKey is PLRLBADMYSOZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-15(11(2)18(4)17-10)14-9-20-6-5-19(14)8-13-7-16-12(3)21-13/h7,14H,5-6,8-9H2,1-4H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine?
4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine has a molecular weight of 306.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 75471321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).