[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C16H26N4O2S — CID 11530172

IUPAC[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csc(CN3CCOCC3)n2)CC1
InChIInChI=1S/C16H26N4O2S/c1-13(2)19-3-5-20(6-4-19)16(21)14-12-23-15(17-14)11-18-7-9-22-10-8-18/h12-13H,3-11H2,1-2H3
InChIKeyDCKHEDSJHZMPDO-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.14
Rot. Bonds4

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

[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11530172) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is [2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11530172
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csc(CN3CCOCC3)n2)CC1
InChIInChI=1S/C16H26N4O2S/c1-13(2)19-3-5-20(6-4-19)16(21)14-12-23-15(17-14)11-18-7-9-22-10-8-18/h12-13H,3-11H2,1-2H3
InChIKeyDCKHEDSJHZMPDO-UHFFFAOYSA-N
XLogP1.14
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
(4-Isopropyl-piperazin-1-yl)-(2-piperidin-1-ylmethyl-thiazol-4-yl)-methanone
CID 11573599
2-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 50960786
Ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51119730
2-Morpholin-4-yl-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 53603930
[4-(2-Hydroxybutyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 53624902
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72933096
Methyl 4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-1-piperazinecarboxylate
CID 72937370
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
2-[4-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 30486238
N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide
CID 46944152
[2-(4-Methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 53014670

Frequently Asked Questions

What is the IUPAC name of [2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11530172) is [2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2csc(CN3CCOCC3)n2)CC1.
What is the InChIKey of [2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DCKHEDSJHZMPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13(2)19-3-5-20(6-4-19)16(21)14-12-23-15(17-14)11-18-7-9-22-10-8-18/h12-13H,3-11H2,1-2H3.
What are the key properties of [2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 338.48 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11530172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).