3-ethyl-1,3-benzothiazol-2-imine

C9H10N2S — CID 591719

IUPAC3-ethyl-1,3-benzothiazol-2-imine
SMILES[H]/N=c1\sc2ccccc2n1CC
InChIInChI=1S/C9H10N2S/c1-2-11-7-5-3-4-6-8(7)12-9(11)10/h3-6,10H,2H2,1H3/b10-9-
InChIKeyJELNETBMNHYVQV-KTKRTIGZSA-N
MW178.26 g/mol
LogP2.20
Rot. Bonds1

About 3-ethyl-1,3-benzothiazol-2-imine

3-ethyl-1,3-benzothiazol-2-imine (PubChem CID 591719) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 3-ethyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name3-ethyl-1,3-benzothiazol-2-imine
PubChem CID591719
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name3-ethyl-1,3-benzothiazol-2-imine
SMILES[H]/N=c1\sc2ccccc2n1CC
InChIInChI=1S/C9H10N2S/c1-2-11-7-5-3-4-6-8(7)12-9(11)10/h3-6,10H,2H2,1H3/b10-9-
InChIKeyJELNETBMNHYVQV-KTKRTIGZSA-N
XLogP2.20
TPSA28.78 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylbenzothiazole-2(3H)-thione
CID 75264
2,3-Dihydroimidazo(2,1-b)benzothiazol-6-amine
CID 658687
N'-[(2E)-3-methyl-1,3-benzothiazol-2(3H)-ylidene]acetohydrazide
CID 6089291
3-Methyl-2-benzothiazolone hydrazone hydrochloride
CID 9575839
3-methylbenzothiazol-2(3H)-one hydrazone
CID 14319
3-Methyl-2-benzothiazolinone hydrazone hydrochloride
CID 78041
3-Methyl-1,3-benzothiazol-2(3H)-imine
CID 84642
1-(3-Methyl-3H-benzothiazol-2-ylidene)-propane-2-thione
CID 721517
[3-Phenyl-3H-benzothiazol-(2Z)-ylidene]-hydrazine
CID 56642950
3-Methyl-2-benzothiazolone hydrazone
CID 5782694
(NE)-N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]hydroxylamine
CID 5405669
3-Prop-2-enyl-1,3-benzothiazole-2-thione
CID 332007

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-benzothiazol-2-imine?
The IUPAC name of 3-ethyl-1,3-benzothiazol-2-imine (CID 591719) is 3-ethyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for 3-ethyl-1,3-benzothiazol-2-imine?
The canonical SMILES for 3-ethyl-1,3-benzothiazol-2-imine is [H]/N=c1\sc2ccccc2n1CC.
What is the InChIKey of 3-ethyl-1,3-benzothiazol-2-imine?
The InChIKey is JELNETBMNHYVQV-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-11-7-5-3-4-6-8(7)12-9(11)10/h3-6,10H,2H2,1H3/b10-9-.
What are the key properties of 3-ethyl-1,3-benzothiazol-2-imine?
3-ethyl-1,3-benzothiazol-2-imine has a molecular weight of 178.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 591719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).