6-chloro-5-ethyl-1,3-benzothiazol-2-amine

C9H9ClN2S — CID 170435006

IUPAC6-chloro-5-ethyl-1,3-benzothiazol-2-amine
SMILESCCc1cc2nc(N)sc2cc1Cl
InChIInChI=1S/C9H9ClN2S/c1-2-5-3-7-8(4-6(5)10)13-9(11)12-7/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyDZHTTXFCUPZWBC-UHFFFAOYSA-N
MW212.71 g/mol
LogP3.09
Rot. Bonds1

About 6-chloro-5-ethyl-1,3-benzothiazol-2-amine

6-chloro-5-ethyl-1,3-benzothiazol-2-amine (PubChem CID 170435006) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 6-chloro-5-ethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-1,3-benzothiazol-2-amine
PubChem CID170435006
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name6-chloro-5-ethyl-1,3-benzothiazol-2-amine
SMILESCCc1cc2nc(N)sc2cc1Cl
InChIInChI=1S/C9H9ClN2S/c1-2-5-3-7-8(4-6(5)10)13-9(11)12-7/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyDZHTTXFCUPZWBC-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-5-ethyl-1,3-benzothiazol-2-amine (CID 170435006) is 6-chloro-5-ethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-5-ethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-5-ethyl-1,3-benzothiazol-2-amine is CCc1cc2nc(N)sc2cc1Cl.
What is the InChIKey of 6-chloro-5-ethyl-1,3-benzothiazol-2-amine?
The InChIKey is DZHTTXFCUPZWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-2-5-3-7-8(4-6(5)10)13-9(11)12-7/h3-4H,2H2,1H3,(H2,11,12).
What are the key properties of 6-chloro-5-ethyl-1,3-benzothiazol-2-amine?
6-chloro-5-ethyl-1,3-benzothiazol-2-amine has a molecular weight of 212.71 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 170435006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).