6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol

C15H26N4O2S — CID 70719857

IUPAC6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol
SMILESCc1nc(CN2CCN(CC3(O)CNCCOC3)CC2)cs1
InChIInChI=1S/C15H26N4O2S/c1-13-17-14(9-22-13)8-18-3-5-19(6-4-18)11-15(20)10-16-2-7-21-12-15/h9,16,20H,2-8,10-12H2,1H3
InChIKeyGBRRSKCYPGHBAZ-UHFFFAOYSA-N
MW326.47 g/mol
LogP-0.08
Rot. Bonds4

About 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol

6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol (PubChem CID 70719857) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol
PubChem CID70719857
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol
SMILESCc1nc(CN2CCN(CC3(O)CNCCOC3)CC2)cs1
InChIInChI=1S/C15H26N4O2S/c1-13-17-14(9-22-13)8-18-3-5-19(6-4-18)11-15(20)10-16-2-7-21-12-15/h9,16,20H,2-8,10-12H2,1H3
InChIKeyGBRRSKCYPGHBAZ-UHFFFAOYSA-N
XLogP-0.08
TPSA60.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol with MolForge

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Related Compounds

1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649
(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
CID 97511439
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 71885865
11-((2-Methylthiazol-4-Yl)Methyl)-1,8-Dioxa-4,11-Diazaspiro[5.6]Dodecane
CID 131638284
2-[8-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanol
CID 131648337
2-methoxy-N-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 141127135
4-[(2-Methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium
CID 7003843
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide
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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol?
The IUPAC name of 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol (CID 70719857) is 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol is Cc1nc(CN2CCN(CC3(O)CNCCOC3)CC2)cs1.
What is the InChIKey of 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol?
The InChIKey is GBRRSKCYPGHBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-13-17-14(9-22-13)8-18-3-5-19(6-4-18)11-15(20)10-16-2-7-21-12-15/h9,16,20H,2-8,10-12H2,1H3.
What are the key properties of 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol?
6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol has a molecular weight of 326.47 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 70719857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).