N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine

C21H17FN2OS — CID 23856464

IUPACN-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2Cc2ccco2)cc1
InChIInChI=1S/C21H17FN2OS/c1-15-4-6-16(7-5-15)20-14-26-21(23-18-10-8-17(22)9-11-18)24(20)13-19-3-2-12-25-19/h2-12,14H,13H2,1H3/b23-21-
InChIKeyDDBKYTAMBJLGRR-LNVKXUELSA-N
MW364.45 g/mol
LogP5.54
Rot. Bonds4

About N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine

N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 23856464) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID23856464
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC NameN-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2Cc2ccco2)cc1
InChIInChI=1S/C21H17FN2OS/c1-15-4-6-16(7-5-15)20-14-26-21(23-18-10-8-17(22)9-11-18)24(20)13-19-3-2-12-25-19/h2-12,14H,13H2,1H3/b23-21-
InChIKeyDDBKYTAMBJLGRR-LNVKXUELSA-N
XLogP5.54
TPSA30.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 23856464) is N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine is Cc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2Cc2ccco2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is DDBKYTAMBJLGRR-LNVKXUELSA-N. The full InChI is InChI=1S/C21H17FN2OS/c1-15-4-6-16(7-5-15)20-14-26-21(23-18-10-8-17(22)9-11-18)24(20)13-19-3-2-12-25-19/h2-12,14H,13H2,1H3/b23-21-.
What are the key properties of N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 364.45 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23856464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).