5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine

C14H11IN2OS — CID 43450725

IUPAC5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(Oc3cccc(I)c3)c(N)cc2s1
InChIInChI=1S/C14H11IN2OS/c1-8-17-12-7-13(11(16)6-14(12)19-8)18-10-4-2-3-9(15)5-10/h2-7H,16H2,1H3
InChIKeyNFAYITWIWTVNES-UHFFFAOYSA-N
MW382.23 g/mol
LogP4.58
Rot. Bonds2

About 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine

5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43450725) has the molecular formula C14H11IN2OS and a molecular weight of 382.23 g/mol. Its IUPAC name is 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43450725
Molecular FormulaC14H11IN2OS
Molecular Weight382.23 g/mol
Exact Mass381.96
IUPAC Name5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(Oc3cccc(I)c3)c(N)cc2s1
InChIInChI=1S/C14H11IN2OS/c1-8-17-12-7-13(11(16)6-14(12)19-8)18-10-4-2-3-9(15)5-10/h2-7H,16H2,1H3
InChIKeyNFAYITWIWTVNES-UHFFFAOYSA-N
XLogP4.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-(3-iodophenoxy)-2-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

2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
CID 43382999
5-(4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450665
5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450646
5-(3-chloro-4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 63878978
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
5-chloro-2-(3-iodophenoxy)aniline
CID 43144795
2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
CID 43450717
2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine
CID 54966656
2-(3-iodophenoxy)-3-methylaniline
CID 115550908
3-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)oxy]phenol
CID 60870483
3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine
CID 139598514
5-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzothiazol-6-amine
CID 82827800

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine (CID 43450725) is 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2cc(Oc3cccc(I)c3)c(N)cc2s1.
What is the InChIKey of 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is NFAYITWIWTVNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2OS/c1-8-17-12-7-13(11(16)6-14(12)19-8)18-10-4-2-3-9(15)5-10/h2-7H,16H2,1H3.
What are the key properties of 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine?
5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 382.23 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43450725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).