3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine

C12H16N4OS — CID 110132411

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESCc1cn[nH]c1C1COCCN1Cc1cscn1
InChIInChI=1S/C12H16N4OS/c1-9-4-14-15-12(9)11-6-17-3-2-16(11)5-10-7-18-8-13-10/h4,7-8,11H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyMQHVYLOWUVNWPR-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.75
Rot. Bonds3

About 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine

3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine (PubChem CID 110132411) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
PubChem CID110132411
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESCc1cn[nH]c1C1COCCN1Cc1cscn1
InChIInChI=1S/C12H16N4OS/c1-9-4-14-15-12(9)11-6-17-3-2-16(11)5-10-7-18-8-13-10/h4,7-8,11H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyMQHVYLOWUVNWPR-UHFFFAOYSA-N
XLogP1.75
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine (CID 110132411) is 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine is Cc1cn[nH]c1C1COCCN1Cc1cscn1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The InChIKey is MQHVYLOWUVNWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9-4-14-15-12(9)11-6-17-3-2-16(11)5-10-7-18-8-13-10/h4,7-8,11H,2-3,5-6H2,1H3,(H,14,15).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine has a molecular weight of 264.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 110132411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).