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

C16H27ClN4OS — CID 177229887

IUPAC4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane
SMILESCC.CC.Clc1csc(-c2cnn(CCN3CCOCC3)c2)n1
InChIInChI=1S/C12H15ClN4OS.2C2H6/c13-11-9-19-12(15-11)10-7-14-17(8-10)2-1-16-3-5-18-6-4-16;2*1-2/h7-9H,1-6H2;2*1-2H3
InChIKeyVXCZWWYKRSJALT-UHFFFAOYSA-N
MW358.94 g/mol
LogP4.04
Rot. Bonds4

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

4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane (PubChem CID 177229887) has the molecular formula C16H27ClN4OS and a molecular weight of 358.94 g/mol. Its IUPAC name is 4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane.

Molecular Properties

Compound Name4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane
PubChem CID177229887
Molecular FormulaC16H27ClN4OS
Molecular Weight358.94 g/mol
Exact Mass358.16
IUPAC Name4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane
SMILESCC.CC.Clc1csc(-c2cnn(CCN3CCOCC3)c2)n1
InChIInChI=1S/C12H15ClN4OS.2C2H6/c13-11-9-19-12(15-11)10-7-14-17(8-10)2-1-16-3-5-18-6-4-16;2*1-2/h7-9H,1-6H2;2*1-2H3
InChIKeyVXCZWWYKRSJALT-UHFFFAOYSA-N
XLogP4.04
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 54.04
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-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane?
The IUPAC name of 4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane (CID 177229887) is 4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane.
What is the SMILES notation for 4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane?
The canonical SMILES for 4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane is CC.CC.Clc1csc(-c2cnn(CCN3CCOCC3)c2)n1.
What is the InChIKey of 4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane?
The InChIKey is VXCZWWYKRSJALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS.2C2H6/c13-11-9-19-12(15-11)10-7-14-17(8-10)2-1-16-3-5-18-6-4-16;2*1-2/h7-9H,1-6H2;2*1-2H3.
What are the key properties of 4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane?
4-[2-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane has a molecular weight of 358.94 g/mol, XLogP of 4.04, 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-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine;ethane is sourced from PubChem (CID 177229887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).