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

C14H25N3OS — CID 64545187

IUPACN-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CCCOC(C)C2)n1
InChIInChI=1S/C14H25N3OS/c1-4-6-15-12(3)13-10-19-14(16-13)17-7-5-8-18-11(2)9-17/h10-12,15H,4-9H2,1-3H3
InChIKeyJFYWBQFNWUNYDD-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.82
Rot. Bonds5

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

N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 64545187) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID64545187
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CCCOC(C)C2)n1
InChIInChI=1S/C14H25N3OS/c1-4-6-15-12(3)13-10-19-14(16-13)17-7-5-8-18-11(2)9-17/h10-12,15H,4-9H2,1-3H3
InChIKeyJFYWBQFNWUNYDD-UHFFFAOYSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 64545187) is N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(N2CCCOC(C)C2)n1.
What is the InChIKey of N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is JFYWBQFNWUNYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-6-15-12(3)13-10-19-14(16-13)17-7-5-8-18-11(2)9-17/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64545187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).