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

C10H17N3OS — CID 62989048

IUPAC4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CN(Cc2csc(N)n2)CCCO1
InChIInChI=1S/C10H17N3OS/c1-8-5-13(3-2-4-14-8)6-9-7-15-10(11)12-9/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyOFGQGGSUELUNOQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.34
Rot. Bonds2

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

4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 62989048) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID62989048
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CN(Cc2csc(N)n2)CCCO1
InChIInChI=1S/C10H17N3OS/c1-8-5-13(3-2-4-14-8)6-9-7-15-10(11)12-9/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyOFGQGGSUELUNOQ-UHFFFAOYSA-N
XLogP1.34
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine (CID 62989048) is 4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine is CC1CN(Cc2csc(N)n2)CCCO1.
What is the InChIKey of 4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OFGQGGSUELUNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-5-13(3-2-4-14-8)6-9-7-15-10(11)12-9/h7-8H,2-6H2,1H3,(H2,11,12).
What are the key properties of 4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine?
4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62989048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).