N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C13H18N4OS — CID 62427363

IUPACN-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCN(Cc1cscn1)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C13H18N4OS/c1-17(6-12-8-19-9-15-12)7-13-4-11(16-18-13)5-14-10-2-3-10/h4,8-10,14H,2-3,5-7H2,1H3
InChIKeyJBYLMJQEEMAPMA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.02
Rot. Bonds7

About N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 62427363) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID62427363
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCN(Cc1cscn1)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C13H18N4OS/c1-17(6-12-8-19-9-15-12)7-13-4-11(16-18-13)5-14-10-2-3-10/h4,8-10,14H,2-3,5-7H2,1H3
InChIKeyJBYLMJQEEMAPMA-UHFFFAOYSA-N
XLogP2.02
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62426832
N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 112665585
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 81067715
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline
CID 62435264
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 63274842
N-cyclopropyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 62427015
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 62427363) is N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CN(Cc1cscn1)Cc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is JBYLMJQEEMAPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-17(6-12-8-19-9-15-12)7-13-4-11(16-18-13)5-14-10-2-3-10/h4,8-10,14H,2-3,5-7H2,1H3.
What are the key properties of N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 278.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62427363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).