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

C9H10N2S — CID 821209

IUPAC5-ethyl-1,3-benzothiazol-2-amine
SMILESCCc1ccc2sc(N)nc2c1
InChIInChI=1S/C9H10N2S/c1-2-6-3-4-8-7(5-6)11-9(10)12-8/h3-5H,2H2,1H3,(H2,10,11)
InChIKeyMMVCYZFYBDRDBN-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.44
Rot. Bonds1

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

5-ethyl-1,3-benzothiazol-2-amine (PubChem CID 821209) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5-ethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-1,3-benzothiazol-2-amine
PubChem CID821209
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5-ethyl-1,3-benzothiazol-2-amine
SMILESCCc1ccc2sc(N)nc2c1
InChIInChI=1S/C9H10N2S/c1-2-6-3-4-8-7(5-6)11-9(10)12-8/h3-5H,2H2,1H3,(H2,10,11)
InChIKeyMMVCYZFYBDRDBN-UHFFFAOYSA-N
XLogP2.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
2-Amino-6-methylbenzothiazole
CID 17335
2,6-Benzothiazolediamine
CID 21504
Ska-31
CID 94880
2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Benzothiazolinone, hydrazone
CID 11988
2-(4-Aminophenyl)benzothiazole
CID 234475
2-Amino-4-methylbenzothiazole
CID 15132
2-Amino-5,6-dimethylbenzothiazole
CID 34757
2,5,6-Trimethylbenzothiazole
CID 79765
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093
2-Guanidinobenzothiazole
CID 17415

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-ethyl-1,3-benzothiazol-2-amine (CID 821209) is 5-ethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-ethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-ethyl-1,3-benzothiazol-2-amine is CCc1ccc2sc(N)nc2c1.
What is the InChIKey of 5-ethyl-1,3-benzothiazol-2-amine?
The InChIKey is MMVCYZFYBDRDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-6-3-4-8-7(5-6)11-9(10)12-8/h3-5H,2H2,1H3,(H2,10,11).
What are the key properties of 5-ethyl-1,3-benzothiazol-2-amine?
5-ethyl-1,3-benzothiazol-2-amine has a molecular weight of 178.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 821209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).