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

C15H13FN4S — CID 135721992

IUPAC4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc[nH]1
InChIInChI=1S/C15H13FN4S/c1-17-15-20(19-9-13-3-2-8-18-13)14(10-21-15)11-4-6-12(16)7-5-11/h2-10,18H,1H3/b17-15-,19-9?
InChIKeyBAZIDASIFWOCJH-HASFGEJRSA-N
MW300.36 g/mol
LogP3.10
Rot. Bonds3

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

4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 135721992) has the molecular formula C15H13FN4S and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID135721992
Molecular FormulaC15H13FN4S
Molecular Weight300.36 g/mol
Exact Mass300.08
IUPAC Name4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc[nH]1
InChIInChI=1S/C15H13FN4S/c1-17-15-20(19-9-13-3-2-8-18-13)14(10-21-15)11-4-6-12(16)7-5-11/h2-10,18H,1H3/b17-15-,19-9?
InChIKeyBAZIDASIFWOCJH-HASFGEJRSA-N
XLogP3.10
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135610385
N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135600778
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546
4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135798931
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901226
N-(3,4-dichlorophenyl)-4-(4-nitrophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135847481
N-(2,4-difluorophenyl)-4-(2,5-dimethoxyphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135759349
N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2459841
4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 5137848
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
(E)-N-methyl-4-(4-methylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6904796
N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23989016

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 135721992) is 4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is BAZIDASIFWOCJH-HASFGEJRSA-N. The full InChI is InChI=1S/C15H13FN4S/c1-17-15-20(19-9-13-3-2-8-18-13)14(10-21-15)11-4-6-12(16)7-5-11/h2-10,18H,1H3/b17-15-,19-9?.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 300.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 135721992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).