N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine

C18H20N2O2S — CID 23799456

IUPACN-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2ccco2)cs/c1=N\c1cc(C)cc(C)c1
InChIInChI=1S/C18H20N2O2S/c1-13-9-14(2)11-15(10-13)19-18-20(6-8-21-3)16(12-23-18)17-5-4-7-22-17/h4-5,7,9-12H,6,8H2,1-3H3/b19-18-
InChIKeyKSOMDENUCJFCCN-HNENSFHCSA-N
MW328.44 g/mol
LogP4.31
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine

N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine (PubChem CID 23799456) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
PubChem CID23799456
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2ccco2)cs/c1=N\c1cc(C)cc(C)c1
InChIInChI=1S/C18H20N2O2S/c1-13-9-14(2)11-15(10-13)19-18-20(6-8-21-3)16(12-23-18)17-5-4-7-22-17/h4-5,7,9-12H,6,8H2,1-3H3/b19-18-
InChIKeyKSOMDENUCJFCCN-HNENSFHCSA-N
XLogP4.31
TPSA39.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 23790036
3-butyl-N-(3,4-dimethylphenyl)-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 23829109
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23737132
N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23911708
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 8715499
4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine
CID 23794866
3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23988975
4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392716
3-butyl-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23961566
3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23906653
3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23735643
2-hydroxy-5-[3-(2-methoxyethyl)-2-phenylimino-1,3-thiazol-4-yl]benzamide
CID 16555624

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine (CID 23799456) is N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine is COCCn1c(-c2ccco2)cs/c1=N\c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
The InChIKey is KSOMDENUCJFCCN-HNENSFHCSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-9-14(2)11-15(10-13)19-18-20(6-8-21-3)16(12-23-18)17-5-4-7-22-17/h4-5,7,9-12H,6,8H2,1-3H3/b19-18-.
What are the key properties of N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine has a molecular weight of 328.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23799456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).