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

C12H16N4OS — CID 71929918

IUPAC4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine
SMILESCn1cc(-c2csc(CN3CCOCC3)n2)cn1
InChIInChI=1S/C12H16N4OS/c1-15-7-10(6-13-15)11-9-18-12(14-11)8-16-2-4-17-5-3-16/h6-7,9H,2-5,8H2,1H3
InChIKeyYCFLHXVDNKEPJB-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.38
Rot. Bonds3

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

4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine (PubChem CID 71929918) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine
PubChem CID71929918
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine
SMILESCn1cc(-c2csc(CN3CCOCC3)n2)cn1
InChIInChI=1S/C12H16N4OS/c1-15-7-10(6-13-15)11-9-18-12(14-11)8-16-2-4-17-5-3-16/h6-7,9H,2-5,8H2,1H3
InChIKeyYCFLHXVDNKEPJB-UHFFFAOYSA-N
XLogP1.38
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine (CID 71929918) is 4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine is Cn1cc(-c2csc(CN3CCOCC3)n2)cn1.
What is the InChIKey of 4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine?
The InChIKey is YCFLHXVDNKEPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-15-7-10(6-13-15)11-9-18-12(14-11)8-16-2-4-17-5-3-16/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine?
4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine has a molecular weight of 264.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 71929918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).