3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine

C14H20N4OS — CID 47395154

IUPAC3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine
SMILESCn1cc(-c2nc(CN3CCOCC3(C)C)cs2)cn1
InChIInChI=1S/C14H20N4OS/c1-14(2)10-19-5-4-18(14)8-12-9-20-13(16-12)11-6-15-17(3)7-11/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyBEFQGCKWOWHGHO-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.15
Rot. Bonds3

About 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine

3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine (PubChem CID 47395154) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine
PubChem CID47395154
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine
SMILESCn1cc(-c2nc(CN3CCOCC3(C)C)cs2)cn1
InChIInChI=1S/C14H20N4OS/c1-14(2)10-19-5-4-18(14)8-12-9-20-13(16-12)11-6-15-17(3)7-11/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyBEFQGCKWOWHGHO-UHFFFAOYSA-N
XLogP2.15
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine?
The IUPAC name of 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine (CID 47395154) is 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine.
What is the SMILES notation for 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine?
The canonical SMILES for 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine is Cn1cc(-c2nc(CN3CCOCC3(C)C)cs2)cn1.
What is the InChIKey of 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine?
The InChIKey is BEFQGCKWOWHGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-14(2)10-19-5-4-18(14)8-12-9-20-13(16-12)11-6-15-17(3)7-11/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine?
3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine has a molecular weight of 292.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]morpholine is sourced from PubChem (CID 47395154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).