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

C14H25N3OS — CID 62974619

IUPACN-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN2CCCOC(C)C2)cs1
InChIInChI=1S/C14H25N3OS/c1-3-5-15-8-14-16-13(11-19-14)10-17-6-4-7-18-12(2)9-17/h11-12,15H,3-10H2,1-2H3
InChIKeyIAUFGXCWKTWJFB-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.25
Rot. Bonds6

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

N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62974619) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62974619
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN2CCCOC(C)C2)cs1
InChIInChI=1S/C14H25N3OS/c1-3-5-15-8-14-16-13(11-19-14)10-17-6-4-7-18-12(2)9-17/h11-12,15H,3-10H2,1-2H3
InChIKeyIAUFGXCWKTWJFB-UHFFFAOYSA-N
XLogP2.25
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-[[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 55070265
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55070041
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62973740
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62429350
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
N-[2-[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347604
N-[[6-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62972131
2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906466
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94381346
N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82515435
N-[[4-(1,4-thiazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413635

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62974619) is N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(CN2CCCOC(C)C2)cs1.
What is the InChIKey of N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is IAUFGXCWKTWJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-5-15-8-14-16-13(11-19-14)10-17-6-4-7-18-12(2)9-17/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62974619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).