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

C11H14N4OS — CID 1485218

IUPAC4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine
SMILESc1cnn(Cc2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C11H14N4OS/c1-2-13-15(3-1)9-10-8-12-11(17-10)14-4-6-16-7-5-14/h1-3,8H,4-7,9H2
InChIKeyYZHNECGNNMMTME-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.22
Rot. Bonds3

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

4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 1485218) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine
PubChem CID1485218
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine
SMILESc1cnn(Cc2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C11H14N4OS/c1-2-13-15(3-1)9-10-8-12-11(17-10)14-4-6-16-7-5-14/h1-3,8H,4-7,9H2
InChIKeyYZHNECGNNMMTME-UHFFFAOYSA-N
XLogP1.22
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine (CID 1485218) is 4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine is c1cnn(Cc2cnc(N3CCOCC3)s2)c1.
What is the InChIKey of 4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is YZHNECGNNMMTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-13-15(3-1)9-10-8-12-11(17-10)14-4-6-16-7-5-14/h1-3,8H,4-7,9H2.
What are the key properties of 4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine?
4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 250.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 1485218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).