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

C8H7ClN2S — CID 2049893

IUPAC7-chloro-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c2sc(N)nc12
InChIInChI=1S/C8H7ClN2S/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKeyKZDLRPCFYGSRNU-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.84
Rot. Bonds

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

7-chloro-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 2049893) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 7-chloro-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-4-methyl-1,3-benzothiazol-2-amine
PubChem CID2049893
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name7-chloro-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c2sc(N)nc12
InChIInChI=1S/C8H7ClN2S/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKeyKZDLRPCFYGSRNU-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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-4-methyl-1,3-benzothiazol-2-amine (CID 2049893) is 7-chloro-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-4-methyl-1,3-benzothiazol-2-amine is Cc1ccc(Cl)c2sc(N)nc12.
What is the InChIKey of 7-chloro-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is KZDLRPCFYGSRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/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-chloro-4-methyl-1,3-benzothiazol-2-amine?
7-chloro-4-methyl-1,3-benzothiazol-2-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 7-chloro-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2049893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).