cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C16H24N4O2S — CID 53158629

IUPACcyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C16H24N4O2S/c21-15(13-1-2-13)19-3-5-20(6-4-19)16-17-14(12-23-16)11-18-7-9-22-10-8-18/h12-13H,1-11H2
InChIKeyRYINXGABQNHTEV-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.03
Rot. Bonds4

About cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158629) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158629
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Namecyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C16H24N4O2S/c21-15(13-1-2-13)19-3-5-20(6-4-19)16-17-14(12-23-16)11-18-7-9-22-10-8-18/h12-13H,1-11H2
InChIKeyRYINXGABQNHTEV-UHFFFAOYSA-N
XLogP1.03
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158629) is cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is RYINXGABQNHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c21-15(13-1-2-13)19-3-5-20(6-4-19)16-17-14(12-23-16)11-18-7-9-22-10-8-18/h12-13H,1-11H2.
What are the key properties of cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 336.46 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).