5-chloro-2-methyl-1,3-benzothiazol-4-amine

C8H7ClN2S — CID 71779010

IUPAC5-chloro-2-methyl-1,3-benzothiazol-4-amine
SMILESCc1nc2c(N)c(Cl)ccc2s1
InChIInChI=1S/C8H7ClN2S/c1-4-11-8-6(12-4)3-2-5(9)7(8)10/h2-3H,10H2,1H3
InChIKeyYVPRZICWZISZCJ-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.84
Rot. Bonds

About 5-chloro-2-methyl-1,3-benzothiazol-4-amine

5-chloro-2-methyl-1,3-benzothiazol-4-amine (PubChem CID 71779010) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 5-chloro-2-methyl-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-2-methyl-1,3-benzothiazol-4-amine
PubChem CID71779010
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name5-chloro-2-methyl-1,3-benzothiazol-4-amine
SMILESCc1nc2c(N)c(Cl)ccc2s1
InChIInChI=1S/C8H7ClN2S/c1-4-11-8-6(12-4)3-2-5(9)7(8)10/h2-3H,10H2,1H3
InChIKeyYVPRZICWZISZCJ-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-2-methyl-1,3-benzothiazol-4-amine (CID 71779010) is 5-chloro-2-methyl-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-2-methyl-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-2-methyl-1,3-benzothiazol-4-amine is Cc1nc2c(N)c(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-methyl-1,3-benzothiazol-4-amine?
The InChIKey is YVPRZICWZISZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-4-11-8-6(12-4)3-2-5(9)7(8)10/h2-3H,10H2,1H3.
What are the key properties of 5-chloro-2-methyl-1,3-benzothiazol-4-amine?
5-chloro-2-methyl-1,3-benzothiazol-4-amine has a molecular weight of 198.68 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1,3-benzothiazol-4-amine is sourced from PubChem (CID 71779010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).