(7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole

C9H11NS — CID 143341542

IUPAC(7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole
SMILESC/C=C1/CCCc2ncsc21
InChIInChI=1S/C9H11NS/c1-2-7-4-3-5-8-9(7)11-6-10-8/h2,6H,3-5H2,1H3/b7-2-
InChIKeyKOCOESSEJALUHI-UQCOIBPSSA-N
MW165.26 g/mol
LogP2.88
Rot. Bonds

About (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole

(7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole (PubChem CID 143341542) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole.

Molecular Properties

Compound Name(7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole
PubChem CID143341542
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole
SMILESC/C=C1/CCCc2ncsc21
InChIInChI=1S/C9H11NS/c1-2-7-4-3-5-8-9(7)11-6-10-8/h2,6H,3-5H2,1H3/b7-2-
InChIKeyKOCOESSEJALUHI-UQCOIBPSSA-N
XLogP2.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole?
The IUPAC name of (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole (CID 143341542) is (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole.
What is the SMILES notation for (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole?
The canonical SMILES for (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole is C/C=C1/CCCc2ncsc21.
What is the InChIKey of (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole?
The InChIKey is KOCOESSEJALUHI-UQCOIBPSSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-7-4-3-5-8-9(7)11-6-10-8/h2,6H,3-5H2,1H3/b7-2-.
What are the key properties of (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole?
(7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole has a molecular weight of 165.26 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-ethylidene-5,6-dihydro-4H-1,3-benzothiazole is sourced from PubChem (CID 143341542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).