(E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

C13H15N3OS — CID 6904728

IUPAC(E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(C)n1/N=C/c1ccco1
InChIInChI=1S/C13H15N3OS/c1-10(2)7-14-13-16(11(3)9-18-13)15-8-12-5-4-6-17-12/h4-6,8-9H,1,7H2,2-3H3/b14-13-,15-8+
InChIKeyMBXPWGZGCVBITK-PYJOTRNSSA-N
MW261.35 g/mol
LogP2.81
Rot. Bonds4

About (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

(E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (PubChem CID 6904728) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
PubChem CID6904728
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(C)n1/N=C/c1ccco1
InChIInChI=1S/C13H15N3OS/c1-10(2)7-14-13-16(11(3)9-18-13)15-8-12-5-4-6-17-12/h4-6,8-9H,1,7H2,2-3H3/b14-13-,15-8+
InChIKeyMBXPWGZGCVBITK-PYJOTRNSSA-N
XLogP2.81
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-3-(furan-2-ylmethylideneamino)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23907790
4-[[4-methyl-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135739887
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(furan-2-yl)methanimine
CID 726902
3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23794638
4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23855973
4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23790499
3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23821389
4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23739770
2-methoxy-4-[[2-(2-methylprop-2-enylimino)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135759290
4-[[4-(2,4-dichlorophenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135709953
chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate
CID 25146452
4-(1-benzofuran-2-yl)-3-[(3,4-dimethoxyphenyl)methylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23734737

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The IUPAC name of (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (CID 6904728) is (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The canonical SMILES for (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(C)n1/N=C/c1ccco1.
What is the InChIKey of (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The InChIKey is MBXPWGZGCVBITK-PYJOTRNSSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10(2)7-14-13-16(11(3)9-18-13)15-8-12-5-4-6-17-12/h4-6,8-9H,1,7H2,2-3H3/b14-13-,15-8+.
What are the key properties of (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
(E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine has a molecular weight of 261.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 6904728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).