5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile

C11H11N3OS — CID 115653351

IUPAC5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile
SMILESCc1ncc(CNCc2ccc(C#N)o2)s1
InChIInChI=1S/C11H11N3OS/c1-8-14-7-11(16-8)6-13-5-10-3-2-9(4-12)15-10/h2-3,7,13H,5-6H2,1H3
InChIKeyOQULEJPSVUMFBB-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.21
Rot. Bonds4

About 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile

5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile (PubChem CID 115653351) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile
PubChem CID115653351
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile
SMILESCc1ncc(CNCc2ccc(C#N)o2)s1
InChIInChI=1S/C11H11N3OS/c1-8-14-7-11(16-8)6-13-5-10-3-2-9(4-12)15-10/h2-3,7,13H,5-6H2,1H3
InChIKeyOQULEJPSVUMFBB-UHFFFAOYSA-N
XLogP2.21
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile
CID 115652805
3-fluoro-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzonitrile
CID 61281030
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
4-amino-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 113444131
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242815
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[(2,2-dimethylbutylamino)methyl]furan-2-carbonitrile
CID 103460965
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115627575

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile (CID 115653351) is 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile is Cc1ncc(CNCc2ccc(C#N)o2)s1.
What is the InChIKey of 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile?
The InChIKey is OQULEJPSVUMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-14-7-11(16-8)6-13-5-10-3-2-9(4-12)15-10/h2-3,7,13H,5-6H2,1H3.
What are the key properties of 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile?
5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115653351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).