1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine

C11H12N2O2S — CID 23828306

IUPAC1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine
SMILESCOCc1ccc(C=Nc2nc(C)cs2)o1
InChIInChI=1S/C11H12N2O2S/c1-8-7-16-11(13-8)12-5-9-3-4-10(15-9)6-14-2/h3-5,7H,6H2,1-2H3
InChIKeyYWGCJQFUIWJMQL-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.94
Rot. Bonds4

About 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine

1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine (PubChem CID 23828306) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine
PubChem CID23828306
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine
SMILESCOCc1ccc(C=Nc2nc(C)cs2)o1
InChIInChI=1S/C11H12N2O2S/c1-8-7-16-11(13-8)12-5-9-3-4-10(15-9)6-14-2/h3-5,7H,6H2,1-2H3
InChIKeyYWGCJQFUIWJMQL-UHFFFAOYSA-N
XLogP2.94
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2-Aminothiazol-4-yl)methyl furan-2-carboxylate
CID 57379966
1-(4-Methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one
CID 141191263
N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 73204476
3-(Furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene
CID 91029961
(2R)-3-[3-(furan-2-ylmethoxy)propylimino]-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile
CID 8822016
methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 10708837
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-1,3-thiazol-2-amine
CID 15950707
N-(5-bromo-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine
CID 23762150
Ethyl 2-[2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-1,3-thiazol-4-yl]acetate
CID 23993424
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine
CID 24047017
1-[5-(methoxymethyl)furan-2-yl]-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 24049388
N-[(E)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 24282872

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine?
The IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine (CID 23828306) is 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine?
The canonical SMILES for 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine is COCc1ccc(C=Nc2nc(C)cs2)o1.
What is the InChIKey of 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine?
The InChIKey is YWGCJQFUIWJMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-8-7-16-11(13-8)12-5-9-3-4-10(15-9)6-14-2/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine?
1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine has a molecular weight of 236.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 23828306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).