(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine

C15H12FN3S2 — CID 6904176

IUPAC(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2F)n1/N=C/c1ccsc1
InChIInChI=1S/C15H12FN3S2/c1-11-9-21-15(18-14-5-3-2-4-13(14)16)19(11)17-8-12-6-7-20-10-12/h2-10H,1H3/b17-8+,18-15-
InChIKeyXKAVNPZVEPJJHD-FINFXUDSSA-N
MW317.41 g/mol
LogP4.17
Rot. Bonds3

About (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine

(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6904176) has the molecular formula C15H12FN3S2 and a molecular weight of 317.41 g/mol. Its IUPAC name is (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6904176
Molecular FormulaC15H12FN3S2
Molecular Weight317.41 g/mol
Exact Mass317.05
IUPAC Name(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2F)n1/N=C/c1ccsc1
InChIInChI=1S/C15H12FN3S2/c1-11-9-21-15(18-14-5-3-2-4-13(14)16)19(11)17-8-12-6-7-20-10-12/h2-10H,1H3/b17-8+,18-15-
InChIKeyXKAVNPZVEPJJHD-FINFXUDSSA-N
XLogP4.17
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.17
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

N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine
CID 2357669
(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903342
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6906386
N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine
CID 681268
3-[(2-Fluorophenyl)iminomethyl]thiophen-2-amine
CID 70071907
1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine
CID 2346273
N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2393588
4-(2-fluorophenyl)-N-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2473729
4-(4-cyclohexylphenyl)-N-(2,4-difluorophenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 4563523
4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 5090393
(Z)-N-(2-fluorophenyl)-4-methyl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 5681130
(Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 5689191

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6904176) is (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccccc2F)n1/N=C/c1ccsc1.
What is the InChIKey of (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is XKAVNPZVEPJJHD-FINFXUDSSA-N. The full InChI is InChI=1S/C15H12FN3S2/c1-11-9-21-15(18-14-5-3-2-4-13(14)16)19(11)17-8-12-6-7-20-10-12/h2-10H,1H3/b17-8+,18-15-.
What are the key properties of (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 317.41 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6904176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).