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

C13H18N4OS — CID 110132418

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCc1nc(CN2CCOCC2c2[nH]ncc2C)cs1
InChIInChI=1S/C13H18N4OS/c1-9-5-14-16-13(9)12-7-18-4-3-17(12)6-11-8-19-10(2)15-11/h5,8,12H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyWMICKLDTPYWLJO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.06
Rot. Bonds3

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

3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 110132418) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID110132418
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCc1nc(CN2CCOCC2c2[nH]ncc2C)cs1
InChIInChI=1S/C13H18N4OS/c1-9-5-14-16-13(9)12-7-18-4-3-17(12)6-11-8-19-10(2)15-11/h5,8,12H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyWMICKLDTPYWLJO-UHFFFAOYSA-N
XLogP2.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.06
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-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine (CID 110132418) is 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine is Cc1nc(CN2CCOCC2c2[nH]ncc2C)cs1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is WMICKLDTPYWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-5-14-16-13(9)12-7-18-4-3-17(12)6-11-8-19-10(2)15-11/h5,8,12H,3-4,6-7H2,1-2H3,(H,14,16).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine?
3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 278.38 g/mol, XLogP of 2.06, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 110132418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).