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

C14H10ClFN2S — CID 43674742

IUPAC5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine
SMILESFc1cccc(CNc2c(Cl)ccc3scnc23)c1
InChIInChI=1S/C14H10ClFN2S/c15-11-4-5-12-14(18-8-19-12)13(11)17-7-9-2-1-3-10(16)6-9/h1-6,8,17H,7H2
InChIKeyOPAUAQICLGVQSO-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.70
Rot. Bonds3

About 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine

5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine (PubChem CID 43674742) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine
PubChem CID43674742
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC Name5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine
SMILESFc1cccc(CNc2c(Cl)ccc3scnc23)c1
InChIInChI=1S/C14H10ClFN2S/c15-11-4-5-12-14(18-8-19-12)13(11)17-7-9-2-1-3-10(16)6-9/h1-6,8,17H,7H2
InChIKeyOPAUAQICLGVQSO-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 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine (CID 43674742) is 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine is Fc1cccc(CNc2c(Cl)ccc3scnc23)c1.
What is the InChIKey of 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine?
The InChIKey is OPAUAQICLGVQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c15-11-4-5-12-14(18-8-19-12)13(11)17-7-9-2-1-3-10(16)6-9/h1-6,8,17H,7H2.
What are the key properties of 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine?
5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-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 5-chloro-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43674742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).