N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine

C17H13FN4S — CID 47983114

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESFc1cc(CNc2nc3ccccc3s2)ccc1-n1ccnc1
InChIInChI=1S/C17H13FN4S/c18-13-9-12(5-6-15(13)22-8-7-19-11-22)10-20-17-21-14-3-1-2-4-16(14)23-17/h1-9,11H,10H2,(H,20,21)
InChIKeyRLCCLJQFJJKSBT-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.23
Rot. Bonds4

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 47983114) has the molecular formula C17H13FN4S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID47983114
Molecular FormulaC17H13FN4S
Molecular Weight324.38 g/mol
Exact Mass324.08
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESFc1cc(CNc2nc3ccccc3s2)ccc1-n1ccnc1
InChIInChI=1S/C17H13FN4S/c18-13-9-12(5-6-15(13)22-8-7-19-11-22)10-20-17-21-14-3-1-2-4-16(14)23-17/h1-9,11H,10H2,(H,20,21)
InChIKeyRLCCLJQFJJKSBT-UHFFFAOYSA-N
XLogP4.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 47983158
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 71885790
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86843766
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
N-[[3-(chloromethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 65028278
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine
CID 133284210
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N-methyl-3-nitrobenzamide
CID 47983181

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine (CID 47983114) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine is Fc1cc(CNc2nc3ccccc3s2)ccc1-n1ccnc1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is RLCCLJQFJJKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4S/c18-13-9-12(5-6-15(13)22-8-7-19-11-22)10-20-17-21-14-3-1-2-4-16(14)23-17/h1-9,11H,10H2,(H,20,21).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 324.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 47983114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).