2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane

C9H14N2OS — CID 131132191

IUPAC2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane
SMILESCC1CN(c2nccs2)CCCO1
InChIInChI=1S/C9H14N2OS/c1-8-7-11(4-2-5-12-8)9-10-3-6-13-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyLIVCLPZGWSASQE-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.76
Rot. Bonds1

About 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane

2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane (PubChem CID 131132191) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane
PubChem CID131132191
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane
SMILESCC1CN(c2nccs2)CCCO1
InChIInChI=1S/C9H14N2OS/c1-8-7-11(4-2-5-12-8)9-10-3-6-13-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyLIVCLPZGWSASQE-UHFFFAOYSA-N
XLogP1.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
[6-methyl-4-(1,3-thiazol-2-yl)morpholin-2-yl]methanamine
CID 102938684
N,N-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130709244
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62967794
N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545187
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol
CID 80693113
[4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine
CID 80918713
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111049345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane?
The IUPAC name of 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane (CID 131132191) is 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane.
What is the SMILES notation for 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane?
The canonical SMILES for 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane is CC1CN(c2nccs2)CCCO1.
What is the InChIKey of 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane?
The InChIKey is LIVCLPZGWSASQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-8-7-11(4-2-5-12-8)9-10-3-6-13-9/h3,6,8H,2,4-5,7H2,1H3.
What are the key properties of 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane?
2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane has a molecular weight of 198.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane is sourced from PubChem (CID 131132191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).