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

C11H16N4OS — CID 55256757

IUPAC[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine
SMILESCc1ncsc1CN(C)Cc1cc(CN)no1
InChIInChI=1S/C11H16N4OS/c1-8-11(17-7-13-8)6-15(2)5-10-3-9(4-12)14-16-10/h3,7H,4-6,12H2,1-2H3
InChIKeyWFPYVAAWRVTGTP-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.53
Rot. Bonds5

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

[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 55256757) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is [5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID55256757
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine
SMILESCc1ncsc1CN(C)Cc1cc(CN)no1
InChIInChI=1S/C11H16N4OS/c1-8-11(17-7-13-8)6-15(2)5-10-3-9(4-12)14-16-10/h3,7H,4-6,12H2,1-2H3
InChIKeyWFPYVAAWRVTGTP-UHFFFAOYSA-N
XLogP1.53
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-ene-1,4-diamine
CID 77110220
[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62434127
[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
CID 64768539
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63838009
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 55261157
2-amino-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenol
CID 55259988
2-chloro-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63842276
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 63838094
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55256758
1-(2-hydrazinyl-1,3-thiazol-5-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79765541
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63838095

Frequently Asked Questions

What is the IUPAC name of [5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine (CID 55256757) is [5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine is Cc1ncsc1CN(C)Cc1cc(CN)no1.
What is the InChIKey of [5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is WFPYVAAWRVTGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-11(17-7-13-8)6-15(2)5-10-3-9(4-12)14-16-10/h3,7H,4-6,12H2,1-2H3.
What are the key properties of [5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine?
[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 252.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 55256757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).