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

C14H10ClFN2S — CID 935527

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc(CNc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C14H10ClFN2S/c15-10-3-6-12-13(7-10)19-14(18-12)17-8-9-1-4-11(16)5-2-9/h1-7H,8H2,(H,17,18)
InChIKeySYPRZLJXNMFPSQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.70
Rot. Bonds3

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

6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 935527) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID935527
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc(CNc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C14H10ClFN2S/c15-10-3-6-12-13(7-10)19-14(18-12)17-8-9-1-4-11(16)5-2-9/h1-7H,8H2,(H,17,18)
InChIKeySYPRZLJXNMFPSQ-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

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Related Compounds

6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79525794
N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79143800
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine (CID 935527) is 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine is Fc1ccc(CNc2nc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is SYPRZLJXNMFPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c15-10-3-6-12-13(7-10)19-14(18-12)17-8-9-1-4-11(16)5-2-9/h1-7H,8H2,(H,17,18).
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine?
6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-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 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 935527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).