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

C15H12FN3S2 — CID 2393588

IUPACN-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2F)n1N=Cc1ccsc1
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-ZJCXACDUSA-N
MW317.41 g/mol
LogP4.17
Rot. Bonds3

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

N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2393588) has the molecular formula C15H12FN3S2 and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2393588
Molecular FormulaC15H12FN3S2
Molecular Weight317.41 g/mol
Exact Mass317.05
IUPAC NameN-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccccc2F)n1N=Cc1ccsc1
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-ZJCXACDUSA-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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2393588) is N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccccc2F)n1N=Cc1ccsc1.
What is the InChIKey of N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is XKAVNPZVEPJJHD-ZJCXACDUSA-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 N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N-(2-fluorophenyl)-4-methyl-3-(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 N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2393588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).