2-ethyl-3-methylidene-1,2-benzothiazole

C10H11NS — CID 163583359

IUPAC2-ethyl-3-methylidene-1,2-benzothiazole
SMILESC=C1c2ccccc2SN1CC
InChIInChI=1S/C10H11NS/c1-3-11-8(2)9-6-4-5-7-10(9)12-11/h4-7H,2-3H2,1H3
InChIKeyGJKSVWZEKARCMR-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.00
Rot. Bonds1

About 2-ethyl-3-methylidene-1,2-benzothiazole

2-ethyl-3-methylidene-1,2-benzothiazole (PubChem CID 163583359) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-ethyl-3-methylidene-1,2-benzothiazole.

Molecular Properties

Compound Name2-ethyl-3-methylidene-1,2-benzothiazole
PubChem CID163583359
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2-ethyl-3-methylidene-1,2-benzothiazole
SMILESC=C1c2ccccc2SN1CC
InChIInChI=1S/C10H11NS/c1-3-11-8(2)9-6-4-5-7-10(9)12-11/h4-7H,2-3H2,1H3
InChIKeyGJKSVWZEKARCMR-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-methylidenebenzo[b][1,4]benzothiazepine
CID 145060015
3-bromo-6-ethyl-2-hydroxybenzo[c][1,2]benzothiazepin-11-one
CID 175724112
5-iodo-6-methylidenebenzo[b][1,4]benzothiazepine
CID 145123178
[2-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-benzothiazin-4-yl] benzoate
CID 57278075
6-methylbenzo[d][1,2]benzothiazepin-7-one
CID 15268376
2-methyl-3-(2H-tetrazol-5-yl)-1,2-benzothiazin-4-ol
CID 135838383
2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158335213
1,3-diethyl-2-methylidenebenzimidazole
CID 13297425
ethane;2-methylidene-1-benzothiophen-3-one
CID 91303028
2-(1-aminopentan-2-yl)-3-methylideneisoindol-1-one
CID 65192144
2-nonyl-1,3,2-benzodithiazole
CID 10379010
1-ethyl-2-methylidene-3,1-benzoxazin-4-one
CID 155236220

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylidene-1,2-benzothiazole?
The IUPAC name of 2-ethyl-3-methylidene-1,2-benzothiazole (CID 163583359) is 2-ethyl-3-methylidene-1,2-benzothiazole.
What is the SMILES notation for 2-ethyl-3-methylidene-1,2-benzothiazole?
The canonical SMILES for 2-ethyl-3-methylidene-1,2-benzothiazole is C=C1c2ccccc2SN1CC.
What is the InChIKey of 2-ethyl-3-methylidene-1,2-benzothiazole?
The InChIKey is GJKSVWZEKARCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-3-11-8(2)9-6-4-5-7-10(9)12-11/h4-7H,2-3H2,1H3.
What are the key properties of 2-ethyl-3-methylidene-1,2-benzothiazole?
2-ethyl-3-methylidene-1,2-benzothiazole has a molecular weight of 177.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylidene-1,2-benzothiazole is sourced from PubChem (CID 163583359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).