7-iodo-4-methyl-1,3-benzothiazol-2-amine

C8H7IN2S — CID 130498154

IUPAC7-iodo-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(I)c2sc(N)nc12
InChIInChI=1S/C8H7IN2S/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKeyNIIQTXXCJVMXGR-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.79
Rot. Bonds

About 7-iodo-4-methyl-1,3-benzothiazol-2-amine

7-iodo-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 130498154) has the molecular formula C8H7IN2S and a molecular weight of 290.13 g/mol. Its IUPAC name is 7-iodo-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-iodo-4-methyl-1,3-benzothiazol-2-amine
PubChem CID130498154
Molecular FormulaC8H7IN2S
Molecular Weight290.13 g/mol
Exact Mass289.94
IUPAC Name7-iodo-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(I)c2sc(N)nc12
InChIInChI=1S/C8H7IN2S/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKeyNIIQTXXCJVMXGR-UHFFFAOYSA-N
XLogP2.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 15050569
2-amino-4-methyl-1,3-benzothiazol-7-ol
CID 171560062
ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 170572306
7-chloro-4-iodo-1,3-benzothiazol-2-amine
CID 146273761
4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 42281874
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine
CID 123800310
ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 170624259
4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine
CID 167162170
CID 89301281
CID 89301281
ethane;7-methyl-1,3-benzothiazol-2-amine
CID 145229786
(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
CID 2049854
5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine
CID 82549825

Frequently Asked Questions

What is the IUPAC name of 7-iodo-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-iodo-4-methyl-1,3-benzothiazol-2-amine (CID 130498154) is 7-iodo-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-iodo-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-iodo-4-methyl-1,3-benzothiazol-2-amine is Cc1ccc(I)c2sc(N)nc12.
What is the InChIKey of 7-iodo-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is NIIQTXXCJVMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2S/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11).
What are the key properties of 7-iodo-4-methyl-1,3-benzothiazol-2-amine?
7-iodo-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 290.13 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 130498154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).