4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane

C15H23ClN4OS — CID 177229949

IUPAC4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane
SMILESCC.Cc1sc(-c2cnn(CCN3CCOCC3)c2)nc1Cl
InChIInChI=1S/C13H17ClN4OS.C2H6/c1-10-12(14)16-13(20-10)11-8-15-18(9-11)3-2-17-4-6-19-7-5-17;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyQZKLOWGDUKWBIW-UHFFFAOYSA-N
MW342.90 g/mol
LogP3.33
Rot. Bonds4

About 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane

4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane (PubChem CID 177229949) has the molecular formula C15H23ClN4OS and a molecular weight of 342.90 g/mol. Its IUPAC name is 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane.

Molecular Properties

Compound Name4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane
PubChem CID177229949
Molecular FormulaC15H23ClN4OS
Molecular Weight342.90 g/mol
Exact Mass342.13
IUPAC Name4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane
SMILESCC.Cc1sc(-c2cnn(CCN3CCOCC3)c2)nc1Cl
InChIInChI=1S/C13H17ClN4OS.C2H6/c1-10-12(14)16-13(20-10)11-8-15-18(9-11)3-2-17-4-6-19-7-5-17;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyQZKLOWGDUKWBIW-UHFFFAOYSA-N
XLogP3.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane?
The IUPAC name of 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane (CID 177229949) is 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane.
What is the SMILES notation for 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane?
The canonical SMILES for 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane is CC.Cc1sc(-c2cnn(CCN3CCOCC3)c2)nc1Cl.
What is the InChIKey of 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane?
The InChIKey is QZKLOWGDUKWBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4OS.C2H6/c1-10-12(14)16-13(20-10)11-8-15-18(9-11)3-2-17-4-6-19-7-5-17;1-2/h8-9H,2-7H2,1H3;1-2H3.
What are the key properties of 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane?
4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane has a molecular weight of 342.90 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane is sourced from PubChem (CID 177229949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).