2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C15H27N3OS — CID 62967794

IUPAC2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCCOC(C)C2)sc1CNC(C)(C)C
InChIInChI=1S/C15H27N3OS/c1-11-10-18(7-6-8-19-11)14-17-12(2)13(20-14)9-16-15(3,4)5/h11,16H,6-10H2,1-5H3
InChIKeyVRHYDDCSBMMQAX-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.95
Rot. Bonds3

About 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62967794) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62967794
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCCOC(C)C2)sc1CNC(C)(C)C
InChIInChI=1S/C15H27N3OS/c1-11-10-18(7-6-8-19-11)14-17-12(2)13(20-14)9-16-15(3,4)5/h11,16H,6-10H2,1-5H3
InChIKeyVRHYDDCSBMMQAX-UHFFFAOYSA-N
XLogP2.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763985
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967795
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 102968523
1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464653
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62930842
[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol
CID 80693113
N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62968144
N-[[2-(2-methyl-1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62967101
2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane
CID 131132191
N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62765352
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 64580444
N-[[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63071512

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62967794) is 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(N2CCCOC(C)C2)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is VRHYDDCSBMMQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-11-10-18(7-6-8-19-11)14-17-12(2)13(20-14)9-16-15(3,4)5/h11,16H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 297.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62967794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).