[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine

C14H11ClN2OS — CID 102724687

IUPAC[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine
SMILESNCc1ccc(Oc2nc3ccccc3s2)cc1Cl
InChIInChI=1S/C14H11ClN2OS/c15-11-7-10(6-5-9(11)8-16)18-14-17-12-3-1-2-4-13(12)19-14/h1-7H,8,16H2
InChIKeyANFOVJCDEKSYNM-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.20
Rot. Bonds3

About [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine

[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine (PubChem CID 102724687) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine
PubChem CID102724687
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine
SMILESNCc1ccc(Oc2nc3ccccc3s2)cc1Cl
InChIInChI=1S/C14H11ClN2OS/c15-11-7-10(6-5-9(11)8-16)18-14-17-12-3-1-2-4-13(12)19-14/h1-7H,8,16H2
InChIKeyANFOVJCDEKSYNM-UHFFFAOYSA-N
XLogP4.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine 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

2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
2-(1,3-benzothiazol-2-yloxy)-4,5-dichloroaniline
CID 107501103
4-[5-(1,3-benzothiazol-2-yloxy)-2-ethylphenyl]tricyclo[5.2.2.02,6]undecane-3,5-dione
CID 91295041
[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methanamine
CID 141238620
1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
CID 69154883
[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724765
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222
6-(1,3-benzothiazol-2-yloxy)-1H-indole-2-carbaldehyde
CID 59577683
N,N'-diamino-4-(1,3-benzothiazol-2-yloxy)benzenecarboximidamide
CID 163704257
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 91678634

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine?
The IUPAC name of [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine (CID 102724687) is [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine?
The canonical SMILES for [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine is NCc1ccc(Oc2nc3ccccc3s2)cc1Cl.
What is the InChIKey of [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine?
The InChIKey is ANFOVJCDEKSYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-11-7-10(6-5-9(11)8-16)18-14-17-12-3-1-2-4-13(12)19-14/h1-7H,8,16H2.
What are the key properties of [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine?
[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine has a molecular weight of 290.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine is sourced from PubChem (CID 102724687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).