(1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C18H26N6O2S — CID 53158748

IUPAC(1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)nn1C
InChIInChI=1S/C18H26N6O2S/c1-14-11-16(20-21(14)2)17(25)23-3-5-24(6-4-23)18-19-15(13-27-18)12-22-7-9-26-10-8-22/h11,13H,3-10,12H2,1-2H3
InChIKeyPUFXJHDZIAPLHC-UHFFFAOYSA-N
MW390.51 g/mol
LogP0.98
Rot. Bonds4

About (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158748) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158748
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)nn1C
InChIInChI=1S/C18H26N6O2S/c1-14-11-16(20-21(14)2)17(25)23-3-5-24(6-4-23)18-19-15(13-27-18)12-22-7-9-26-10-8-22/h11,13H,3-10,12H2,1-2H3
InChIKeyPUFXJHDZIAPLHC-UHFFFAOYSA-N
XLogP0.98
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158748) is (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is PUFXJHDZIAPLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-14-11-16(20-21(14)2)17(25)23-3-5-24(6-4-23)18-19-15(13-27-18)12-22-7-9-26-10-8-22/h11,13H,3-10,12H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 390.51 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).