3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine

C17H16N2O2S — CID 23988975

IUPAC3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccco3)n2C2CC2)cc1
InChIInChI=1S/C17H16N2O2S/c1-20-14-8-4-12(5-9-14)18-17-19(13-6-7-13)15(11-22-17)16-3-2-10-21-16/h2-5,8-11,13H,6-7H2,1H3/b18-17-
InChIKeySJDLALAWZLAIPQ-ZCXUNETKSA-N
MW312.39 g/mol
LogP4.39
Rot. Bonds4

About 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine

3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23988975) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23988975
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccco3)n2C2CC2)cc1
InChIInChI=1S/C17H16N2O2S/c1-20-14-8-4-12(5-9-14)18-17-19(13-6-7-13)15(11-22-17)16-3-2-10-21-16/h2-5,8-11,13H,6-7H2,1H3/b18-17-
InChIKeySJDLALAWZLAIPQ-ZCXUNETKSA-N
XLogP4.39
TPSA39.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.39
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

3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23906653
3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23740254
3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 18812844
4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine
CID 23794866
3-cyclopropyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 23765123
3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine
CID 23994989
N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 23799456
3-cyclopentyl-N-(4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23883477
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23879852
6-[3-cyclopentyl-2-(3-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23940913
N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 18812826

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine (CID 23988975) is 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccco3)n2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is SJDLALAWZLAIPQ-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-20-14-8-4-12(5-9-14)18-17-19(13-6-7-13)15(11-22-17)16-3-2-10-21-16/h2-5,8-11,13H,6-7H2,1H3/b18-17-.
What are the key properties of 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 312.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23988975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).