N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine

C14H10ClFN2S — CID 107804043

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
SMILESFc1cc(Cl)ccc1CNc1ccc2ncsc2c1
InChIInChI=1S/C14H10ClFN2S/c15-10-2-1-9(12(16)5-10)7-17-11-3-4-13-14(6-11)19-8-18-13/h1-6,8,17H,7H2
InChIKeyRWSPDTJKAHEZBU-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.70
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine

N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 107804043) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
PubChem CID107804043
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
SMILESFc1cc(Cl)ccc1CNc1ccc2ncsc2c1
InChIInChI=1S/C14H10ClFN2S/c15-10-2-1-9(12(16)5-10)7-17-11-3-4-13-14(6-11)19-8-18-13/h1-6,8,17H,7H2
InChIKeyRWSPDTJKAHEZBU-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-4-chlorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107804033
N-[(2-bromo-5-chlorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803729
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
4-[(1,3-benzothiazol-6-ylamino)methyl]-2-fluorophenol
CID 107803700
4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804804
N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 103818915
2-[(1,3-benzothiazol-6-ylamino)methyl]-6-bromophenol
CID 103818822
N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
CID 59823085
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874
N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine (CID 107804043) is N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine is Fc1cc(Cl)ccc1CNc1ccc2ncsc2c1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is RWSPDTJKAHEZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c15-10-2-1-9(12(16)5-10)7-17-11-3-4-13-14(6-11)19-8-18-13/h1-6,8,17H,7H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 292.77 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107804043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).